ChEBI
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20 hours ago •
ebi-chebi
ebi-chebi
Add 1650 missing links in ph7.3 branch
Background: CHEBI has terms for different protonated forms of acids and bases, but does not have grouping classes that conflate over protonation state. Many groups like GO and RHEA use terms in the ph7.3 branch, and use the "uniprot" names.
Unfortunately, the parallel protonation state branches are often inconsistent and incomplete. This means that GO is forced to go through complex gymnastics to get complete inferences as described in https://pubmed.ncbi.nlm.nih.gov/23895341/. This complexity makes it hard for us and our users.
We would like to switch to using the ph7.3 branch and essentially ignoring the parallel branches. Currently this results in many missing links. I have included these in the report below.
The report categorizes two variants of missing is-a links between 7.3 terms; one where the 7.3 pair is the conjugate base of a pair of is-a path pairs, and the other where the 7.3 pair is the conjugate acid:
right_incomplete:
7.3 form
Bp <--[is_conjugate_base_of]-- Ap
^ ?
| ?
| ?
B <--[is_conjugate_base_of]-- A
left_incomplete:
7.3 form
Bp <--[is_conjugate_base_of]-- Ap
? ^
? |
? |
B <--[is_conjugate_base_of]-- A
question marks denote a missing is-a path.
Full report: https://github.com/chemkg/chemrof/blob/master/chebi-scratch/conjugate-ph7-3-incomplete.tsv
Here is a sample of the report (too large to include directly as an issue)
| bioname | bioname_parent | base | acid | base_parent | acid_parent | inconsistency | base_n | acid_n | base_parent_n | acid_parent_n |
|---|---|---|---|---|---|---|---|---|---|---|
| (5R)-5-phosphooxy-L-lysine | a carboxylate | CHEBI:57882 | CHEBI:16752 | CHEBI:29067 | CHEBI:33575 | left_incomplete | erythro-5-phosphonatoooxy-L-lysinium(1-) | erythro-5-phosphonooxy-L-lysine | carboxylic acid anion | carboxylic acid |
| (7S,17S)-dihydroxy-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate | a long-chain fatty acid | CHEBI:140352 | CHEBI:138645 | CHEBI:57560 | CHEBI:15904 | left_incomplete | resolvin D5(1-) | resolvin D5 | long-chain fatty acid anion | long-chain fatty acid |
| 10-hydroxyoctadecanoate | a long-chain fatty acid | CHEBI:143089 | CHEBI:143095 | CHEBI:57560 | CHEBI:15904 | left_incomplete | 10-hydroxyoctadecanoate | 10-hydroxyoctadecanoic acid | long-chain fatty acid anion | long-chain fatty acid |
| 2,3-dihydroxybenzoate | an aromatic carboxylate | CHEBI:36654 | CHEBI:18026 | CHEBI:91007 | CHEBI:33859 | left_incomplete | 2,3-dihydroxybenzoate | 2,3-dihydroxybenzoic acid | aromatic carboxylate | aromatic carboxylic acid |
| benzoate | an aromatic carboxylate | CHEBI:16150 | CHEBI:30746 | CHEBI:91007 | CHEBI:33859 | left_incomplete | benzoate | benzoic acid | aromatic carboxylate | aromatic carboxylic acid |
Here are the first two columns (note these are the uniprot names, which do NOT correspond to the primary labels) click to expand:
| bioname | bioname_parent |
|---|---|
| (5R)-5-phosphooxy-L-lysine | a carboxylate |
| (7S,17S)-dihydroxy-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate | a long-chain fatty acid |
| 10-hydroxyoctadecanoate | a long-chain fatty acid |
| 2,3-dihydroxybenzoate | an aromatic carboxylate |
| benzoate | an aromatic carboxylate |
| 4-hydroxybenzoate | an aromatic carboxylate |
| 2-oxododecanoate | a 2-oxocarboxylate |
| 2-oxododecanoate | a medium chain fatty acid |
| (8S)-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| 4-O-[(2R)-glycerylphospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| all-trans-undecaprenyl diphosphate | a polyprenol phosphate |
| L-2-acetamido-6-oxoheptanedioate | oxo dicarboxylic acid |
| dTDP | a 2'-deoxyribonucleoside 5'-diphosphate |
| dTDP | a ribonucleoside 5'-diphosphate |
| 12-oxo-leukotriene B4 | a monocarboxylate |
| 12-oxo-leukotriene B4 | a fatty acid |
| 12-oxo-leukotriene B4 | a long-chain fatty acid |
| 3-acetylamino-4-hydroxybenzoate | an aromatic carboxylate |
| 5-pyridoxate | an aromatic carboxylate |
| kynurenate | an aromatic carboxylate |
| 12-oxo-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| a ribonucleoside 3'-phosphate | a nucleoside 3'-phosphate |
| a ribonucleoside 3'-phosphate | a ribonucleoside 5'-phosphate |
| 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate | a myo-inositol phosphate |
| 5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate | a monocarboxylate |
| 5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate | a fatty acid |
| 5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate | a long-chain fatty acid |
| orsellinate | an aromatic carboxylate |
| GTP(3-) | GTP |
| alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| GTP(3-) | a nucleoside 5'-phosphate |
| GTP(3-) | a ribonucleoside 5'-triphosphate |
| 3-fumarylpyruvate | oxo dicarboxylic acid |
| (7R,8S)-7,8-diammoniononanoate | a monocarboxylate |
| 5-O-(1-carboxyvinyl)-3-phosphoshikimate | a carboxylate |
| (7R,8S)-7,8-diammoniononanoate | a carboxylate |
| 3-phosphooxypyruvate | a carboxylate |
| (7R,8S)-7,8-diammoniononanoate | a fatty acid |
| 3-propylmalate | a 2-hydroxy carboxylate |
| 4-fumarylacetoacetate | oxo dicarboxylic acid |
| resolvin D1 | a long-chain fatty acid |
| 5-O-(1-carboxyvinyl)-3-phosphoshikimate | a polyunsaturated dicarboxylic fatty acid |
| FAD | an oxidized flavin |
| FMNH(.) | an oxidized flavin |
| 3,4,5-trihydroxybenzoate | an aromatic carboxylate |
| 2,3-dihydroxy-p-cumate | an aromatic carboxylate |
| 4-chlorobenzoate | an aromatic carboxylate |
| 8-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 2-benzylsuccinate | (R)-2-benzylsuccinate |
| di-trans,nona-cis-dodecaprenyl phosphate | a polyprenol phosphate |
| FMNH(.) | a nucleoside 5'-phosphate |
| S-formylglutathione | an S-substituted glutathione |
| FMNH(.) | a ribonucleoside 5'-phosphate |
| S-formylglutathione | S-acylglutathione |
| 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate | a myo-inositol phosphate |
| O-phospho-L-homoserine | a carboxylate |
| syringate | an aromatic carboxylate |
| N(6)-(1,2-dicarboxyethyl)-AMP | a nucleoside 5'-phosphate |
| GMP | a nucleoside 5'-phosphate |
| 3'-O-salicyl-AMP | a nucleoside 5'-phosphate |
| a fatty acyl-AMP | a nucleoside 5'-phosphate |
| N(6)-(1,2-dicarboxyethyl)-AMP | a ribonucleoside 5'-phosphate |
| 3'-O-salicyl-AMP | a ribonucleoside 5'-phosphate |
| a fatty acyl-AMP | a ribonucleoside 5'-phosphate |
| cyclohexylsulfamate | a sulfamate |
| succinamate | a monoamide of a dicarboxylate |
| a (3E,5Z)-dienoyl-CoA | a fatty acyl-CoA |
| (R)-10-hydroxyoctadecanoate | a long-chain fatty acid |
| (S)-mandelate | a (2S)-2-hydroxycarboxylate |
| 1-hydroxy-2-naphthoate | an aromatic carboxylate |
| 8,9-dihydroxy-(5Z,11Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| (4R,5S)-dethiobiotin | dethiobiotin |
| P(1),P(4)-bis(5'-guanosyl) tetraphosphate | a nucleoside 5'-phosphate |
| CDP | a nucleoside 5'-phosphate |
| 5-methyl-UMP | a nucleoside 5'-phosphate |
| 4-maleylacetoacetate | oxo dicarboxylic acid |
| 3-oxoadipate | oxo dicarboxylic acid |
| 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate | a monocarboxylate |
| 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde | a monocarboxylate |
| resolvin D1 | a hydroxy polyunsaturated fatty acid |
| a 2'-deoxyribonucleoside 3'-phosphate | a nucleoside 3'-phosphate |
| dTDP | a nucleoside 5'-phosphate |
| a 2'-deoxyribonucleoside 3'-phosphate | a ribonucleoside 5'-phosphate |
| N-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-glycine | an N-acylglycine |
| N-(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl-glycine | an N-acylglycine |
| omega-dicarboxyl-CoA | an acyl-CoA |
| 5-methyldeoxycytidine 5'-phosphate | a 2'-deoxyribonucleoside 5'-phosphate |
| 3,4-dihydroxyphthalate | an aromatic carboxylate |
| 3-bromo-4-hydroxybenzoate | an aromatic carboxylate |
| 3-bromo-4,5-dihydroxybenzoate | an aromatic carboxylate |
| 4-(2-aminophenyl)-2,4-dioxobutanoate | a 2-oxocarboxylate |
| phosphinomethylisomalate | a 2-hydroxydicarboxylate |
| (2E,5Z)-octadienoyl-CoA | a medium-chain fatty acyl-CoA |
| 8-oxoresolvin D1 | a hydroxy polyunsaturated fatty acid |
| 17-oxoresolvin D1 | a hydroxy polyunsaturated fatty acid |
| (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate | a hydroxy polyunsaturated fatty acid |
| diisopropyl phosphate | a dialkyl phosphate |
| dCMP | a nucleoside 5'-phosphate |
| IMP | a nucleoside 5'-phosphate |
| 3'-L-prolyl-AMP | a nucleoside 5'-phosphate |
| 5-methyldeoxycytidine 5'-phosphate | a nucleoside 5'-phosphate |
| 2-methylpropanoyl phosphate | an acyl phosphate |
| dCMP | a ribonucleoside 5'-phosphate |
| 3'-L-prolyl-AMP | a ribonucleoside 5'-phosphate |
| 5-methyldeoxycytidine 5'-phosphate | a ribonucleoside 5'-phosphate |
| 3-D-glucuronosyl-N(2),6-disulfo-beta-D-glucosamine | a sulfamate |
| cis-4-coumarate | 4-coumarate |
| N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine | oxo dicarboxylic acid |
| 21-phosphorifampicin | a phosphate monoester |
| 1D-myo-inositol hexakisphosphate | a myo-inositol phosphate |
| 3-carboxy-2,5-dihydro-5-oxofuran-2-acetate | a monocarboxylate |
| 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoate | a monocarboxylate |
| 2-dehydro-3-deoxy-D-galactonate | a monocarboxylate |
| D-threonate | a fatty acid |
| 2-hydroxyhepta-2,4-dienedioate | a polyunsaturated dicarboxylic fatty acid |
| 2-methylbut-2-enoyl-CoA | a 2,3-dehydroacyl-CoA |
| 3-oxopristanoyl-CoA | a 3-oxo-fatty acyl-CoA |
| (2Z,6E,10E)-geranylgeranyl diphosphate | geranylgeranyl diphosphate |
| 13-hydroxydocosanoate | a long-chain fatty acid |
| 2-deoxy-D-ribose 5-phosphate | aldehydo-2-deoxy-D-ribose 5-phosphate |
| (R)-2-benzylsuccinyl-CoA | an acyl-CoA |
| 2-deoxy-alpha-D-ribose 1-phosphate | 2-deoxy-D-ribose 1-phosphate |
| 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate | an aromatic carboxylate |
| 2-ethylhexyl phthalate | an aromatic carboxylate |
| 1,4-dihydroxy-2-naphthoate | an aromatic carboxylate |
| 4-aminobenzoate | an aromatic carboxylate |
| 3-methylorsellinate | an aromatic carboxylate |
| (R)-2-benzylsuccinyl-CoA | omega-dicarboxyl-CoA |
| 2-hydroxyadipate | a 2-hydroxydicarboxylate |
| 10-hydroxydecanoate | a medium chain fatty acid |
| (2E)-2-hydroxypenta-2,4-dienoate | a hydroxy polyunsaturated fatty acid |
| 2-hydroxypenta-2,4-dienoate | a hydroxy polyunsaturated fatty acid |
| (5,12,18R)-trihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate | a hydroxy polyunsaturated fatty acid |
| (2Z,6E,10E)-geranylgeranyl diphosphate | a polyprenol phosphate |
| alpha-D-galactosyl-all-trans-undecaprenyl diphosphate | a polyprenol phosphate |
| 3-hydroxy-4-methylanthranilyl-5'-AMP | a nucleoside 5'-phosphate |
| dCDP | a nucleoside 5'-phosphate |
| (2R)-3-phospho-glyceroyl phosphate | an acyl phosphate |
| butanoyl phosphate | an acyl phosphate |
| dCDP | a ribonucleoside 5'-diphosphate |
| 3-hydroxy-4-methylanthranilyl-5'-AMP | a ribonucleoside 5'-phosphate |
| 3',5'-cyclic CMP | a nucleoside 3',5'-cyclic phosphate |
| N-acetyl-D-leucine | an N-acetyl-D-amino acid |
| 3alpha-hydroxy-5alpha-androstane 17-O-(beta-D-glucuronate) | steroid glucuronate |
| 3-oxopristanoyl-CoA | a long-chain fatty acyl-CoA |
| maleylacetate | oxo dicarboxylic acid |
| 2-hydroxy-3-oxoadipate | oxo dicarboxylic acid |
| 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA | a short-chain fatty acyl-CoA |
| (R)-3-hydroxybutanoate | an (omega-1)-hydroxy fatty acid |
| (S)-3-hydroxybutanoate | an (omega-1)-hydroxy fatty acid |
| 3-oxopristanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 1L-myo-inositol 1,2,3,4,6-pentakisphosphate | a myo-inositol phosphate |
| 1D-myo-inositol 1,4,5,6-tetrakisphosphate | a myo-inositol phosphate |
| 1D-myo-inositol 1,3,4,5-tetrakisphosphate | a myo-inositol phosphate |
| (S)-2-methylbutanoate | 2-methylbutanoate |
| 2-methylbut-2-enoyl-CoA | a fatty acyl-CoA |
| a (2S)-2-methylacyl-CoA | a fatty acyl-CoA |
| 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA | a fatty acyl-CoA |
| beta-D-fructose 6-phosphate | D-fructose 6-phosphate |
| 2-dehydro-3-deoxy-L-rhamnonate | a monocarboxylate |
| N-butanoylglycine | an N-acylglycine |
| (S)-3-hydroxy-2-methylpropanoate | 3-hydroxy-2-methylpropanoate |
| (3R)-citramalate | a 2-hydroxydicarboxylate |
| 3,4-dihydroxy-5-all-trans-hexaprenylbenzoate | an aromatic carboxylate |
| (S)-2-hydroxyoctadecanoate | a (2S)-2-hydroxycarboxylate |
| anthranilate | an aromatic carboxylate |
| 2-dehydro-3-deoxy-D-fuconate | a monocarboxylate |
| 4-(beta-D-glucosyloxy)benzoate | an aromatic carboxylate |
| a (2E,4Z)-dienoyl-CoA | a fatty acyl-CoA |
| all-trans-heptaprenyl diphosphate | a polyprenol phosphate |
| 3-hydroxypyruvate | a 2-oxocarboxylate |
| 1D-myo-inositol 1,3,4,5,6-pentakisphosphate | a myo-inositol phosphate |
| 2-arylpropionate | a monocarboxylate |
| 2-oxosuccinamate | a monoamide of a dicarboxylate |
| (Z)-5-oxohex-2-enedioate | oxo dicarboxylic acid |
| (S)-3-(imidazol-5-yl)lactate | a (2S)-2-hydroxycarboxylate |
| 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate | an aromatic carboxylate |
| 2-chlorobenzoate | an aromatic carboxylate |
| (2S)-2-isopropylmalate | a 2-hydroxy carboxylate |
| dTTP(3-) | a ribonucleoside 5'-triphosphate |
| dTTP(3-) | dTTP |
| dTTP(3-) | a 2'-deoxyribonucleoside 5'-triphosphate |
| dTTP(3-) | a nucleoside 5'-phosphate |
| (2R)-O-phospho-3-sulfolactate | a carboxylate |
| (3Z)-dodecenoyl-CoA | a medium-chain fatty acyl-CoA |
| 4-methylpentanoyl-CoA | a short-chain fatty acyl-CoA |
| N(2)-acetyl-L-citrulline | a monocarboxylate |
| dGDP | a nucleoside 5'-phosphate |
| dGDP | a ribonucleoside 5'-diphosphate |
| 3,3',4',5,7-pentahydroxy-8-methoxyflavone | a flavonol oxoanion |
| gibberellin A8 | a monocarboxylate |
| 2-acetolactate | a 3-oxo acid |
| 1-O-(1Z-octadecenyl)-sn-glycero-3-phosphate | 1-O-alkyl-sn-glycero-3-phosphate |
| alpha-D-glucose 1-phosphate | D-glucopyranose 1-phosphate |
| (5E)-tetradecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (3S)-citramalyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| (3S)-citramalyl-CoA | a fatty acyl-CoA |
| 5-methyldeoxycytidine diphosphate | a 2'-deoxyribonucleoside 5'-diphosphate |
| 5-methyldeoxycytidine diphosphate | a nucleoside 5'-phosphate |
| 5-methyldeoxycytidine diphosphate | a ribonucleoside 5'-diphosphate |
| (3S)-citramalyl-CoA | an acyl-CoA |
| but-2-enoyl-CoA | a 2,3-dehydroacyl-CoA |
| oxamate | a monoamide of a dicarboxylate |
| but-2-enoyl-CoA | a fatty acyl-CoA |
| 8,9-epoxy-(5Z,9E,11Z,14Z)-eicosatetraenoate | a monocarboxylate |
| (S)-2-amino-6-oxoheptanedioate | oxo dicarboxylic acid |
| 8,9-epoxy-(5Z,9E,11Z,14Z)-eicosatetraenoate | a long-chain fatty acid |
| 8,9-epoxy-(5Z,9E,11Z,14Z)-eicosatetraenoate | a fatty acid |
| alpha-D-mannose 1-phosphate | alpha-D-hexose 1-phosphate |
| (3E)-octenoyl-CoA | a medium-chain fatty acyl-CoA |
| (2E,6E)-farnesyl diphosphate | a polyprenol phosphate |
| CMP-N-glycoloyl-beta-neuraminate | a CMP-N-acyl-beta-neuraminate |
| 1D-myo-inositol 1,3,4-trisphosphate | a myo-inositol phosphate |
| 9-hydroxy-octadecanoate | a long-chain fatty acid |
| 18S-resolvin E2 | a hydroxy polyunsaturated fatty acid |
| 18S-resolvin E1 | a hydroxy polyunsaturated fatty acid |
| di-trans,poly-cis-decaprenyl diphosphate | a polyprenol phosphate |
| 2-hydroxyhexacosanoyl-CoA | a very long-chain fatty acyl-CoA |
| 5-hydroxypentanoate | an omega-hydroxy fatty acid |
| 5-hydroxypentanoate | a fatty acid |
| resolvin T3 | a long-chain fatty acid |
| N-acetyl-D-mannosamine 6-phosphate | an N-acyl-D-mannosamine 6-phosphate |
| resolvin T3 | a hydroxy polyunsaturated fatty acid |
| resolvin T4 | a long-chain fatty acid |
| resolvin T4 | a hydroxy polyunsaturated fatty acid |
| (5S,6S)-epoxy-(18S)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate | a hydroxy polyunsaturated fatty acid |
| avenanthramide B | an aromatic carboxylate |
| a (2E)-enoyl-CoA | a fatty acyl-CoA |
| all-trans-octaprenyl diphosphate | a polyprenol phosphate |
| beta-D-glucose 1-phosphate | D-glucopyranose 1-phosphate |
| 1-O-(1Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate | monoacyl-sn-glycero-3-phosphate |
| a 2'-deoxyribonucleoside 5'-phosphate | a ribonucleoside 5'-phosphate |
| (R)-2-benzylsuccinate | 2-benzylsuccinate |
| 12-hydroxydodecanoate | a medium chain fatty acid |
| a 2'-deoxyribonucleoside 5'-phosphate | a nucleoside 5'-phosphate |
| a bacteriochlorophyllide e | a chlorophyll |
| a bacteriochlorophyllide e | a chlorophyllide |
| (2E)-decenoate | a medium chain fatty acid |
| zolasartan | an aromatic carboxylate |
| (2S)-2-isopropyl-3-oxosuccinate | oxo dicarboxylic acid |
| 3-hydroxyanthranilate | an aromatic carboxylate |
| hydroxy-docosapentaenoate | a long-chain fatty acid |
| (14S,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| (14S,21R)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| N-acetyl-alpha-D-glucosaminyldiphosphodolichol | a polyprenol phosphate |
| N-octanoylanthranilate | an aromatic carboxylate |
| (E)-non-2-enoate | a medium chain fatty acid |
| 2-oxohexanoate | a medium chain fatty acid |
| thiamine acetate | a monocarboxylate |
| (+)-7-isojasmonate | a fatty acid |
| thiamine acetate | a carboxylate |
| N-acetyl-D-glutamine | an N-acetyl-D-amino acid |
| (14S,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| quinoline-4-carboxylate | an aromatic carboxylate |
| (14R,21R)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| 3-hydroxybenzoate | an aromatic carboxylate |
| aceneuramate | an N-acylneuraminate |
| N-formylmethanofuran | a carboxylate |
| 3,4-dihydroxybenzoate | an aromatic carboxylate |
| bilirubin-glucuronoside | a monocarboxylate |
| 4-(2,4-dichlorophenoxy)butanoyl-L-glutamine | an N(2)-acyl-L-glutamine |
| N-benzoylanthranilate | an aromatic carboxylate |
| N-(3,4-dichlorophenyl)malonamate | a monoamide of a dicarboxylate |
| 2,6-dihydroxybenzoate | an aromatic carboxylate |
| 3',5'-cyclic AMP | a nucleoside 3',5'-cyclic phosphate |
| 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde | a monocarboxylate |
| all-trans-hexaprenyl diphosphate | a polyprenol phosphate |
| gibberellin A3 | a monocarboxylate |
| D-mannosyl undecaprenyl phosphate | a polyprenol phosphate |
| (R)-malate | a 2-hydroxydicarboxylate |
| (S)-malate | a 2-hydroxydicarboxylate |
| 1-O-alkyl-2-acetyl-sn-glycerol 3-phosphate | monoacyl-sn-glycero-3-phosphate |
| 5-diphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate | a myo-inositol phosphate |
| 1-O-alkyl-2-acetyl-sn-glycerol 3-phosphate | 1-O-alkyl-2-acyl-sn-glycero-3-phosphate |
| (S)-4-hydroxymandelate | a (2S)-2-hydroxycarboxylate |
| 3-hydroxypropanoate | a fatty acid |
| 3-hydroxypropanoate | an omega-hydroxy fatty acid |
| salicylate 2-O-beta-D-glucoside | an aromatic carboxylate |
| 3,8-divinyl protochlorophyllide a | a carboxylate |
| N(2)-phenylacetyl-L-glutamine | a monoamide of a dicarboxylate |
| alpha-D-galacturonate | a monocarboxylate |
| a phosphatidylglycerol phosphate | a phosphatidylglycerol |
| 3,8-divinyl protochlorophyllide a | a chlorophyll |
| 3,8-divinyl protochlorophyllide a | a chlorophyllide |
| alpha-D-galactose 1-phosphate | alpha-D-hexose 1-phosphate |
| a 2'-deoxyribonucleoside 5'-diphosphate | a nucleoside 5'-phosphate |
| alpha-D-galacturonate | D-galacturonate |
| 15-oxo-11Z,13E-eicosadienoate | a long-chain fatty acid |
| 4-methoxybenzoate | an aromatic carboxylate |
| 5-hydroxymethyldeoxycytidine 5'-phosphate residue | a deoxyribonucleotide residue |
| O-phospho-L-threonine | a carboxylate |
| platensimycin | an aromatic carboxylate |
| a mannosylinositol-1-phospho-N-acyl-sphingoid base | an inositol-1-phosphoceramide |
| platencin | an aromatic carboxylate |
| (2Z,4E)-2-hydroxyhexa-2,4-dienedioate | a 2-hydroxydicarboxylate |
| 3-carboxy-2-hydroxy-7-methyl-6-oxo-(2Z,4Z)-octadienoate | a 2-hydroxy carboxylate |
| 3-carboxy-2-hydroxy-7-methyl-6-oxo-(2Z,4Z)-octadienoate | oxo dicarboxylic acid |
| 2-dehydro-3-deoxy-D-arabinonate | a 2-oxocarboxylate |
| glyphosate | phosphonate |
| N-acetyl-D-phenylalanine | an N-acetyl-D-amino acid |
| 3-(3,5-diiodo-4-hydroxyphenyl)lactate | a carboxylate |
| dGMP | a nucleoside 5'-phosphate |
| dGMP | a ribonucleoside 5'-phosphate |
| 3-(3,5-diiodo-4-hydroxyphenyl)lactate | a monocarboxylate |
| 2-deoxy-D-gluconate | a monocarboxylate |
| gibberellin A14 aldehyde | a monocarboxylate |
| a 2,3-dehydroacyl-CoA | a fatty acyl-CoA |
| beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate | a polyprenol phosphate |
| (E)-hept-2-enoate | a medium chain fatty acid |
| 20-hydroxy-8,9-epoxy-(5Z,11Z,14Z)-eicosatrienoate | a long-chain fatty acid |
| 3',5'-cyclic GMP | a nucleoside 3',5'-cyclic phosphate |
| 20-hydroxy-8,9-epoxy-(5Z,11Z,14Z)-eicosatrienoate | a hydroxy-epoxy-eicosatetraenoate |
| 20-hydroxy-8,9-epoxy-(5Z,11Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 20-hydroxy-11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoate | a long-chain fatty acid |
| 20-hydroxy-11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoate | a hydroxy-epoxy-eicosatetraenoate |
| 20-hydroxy-11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 12-oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoate | a fatty acid |
| 12-oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoate | a monocarboxylate |
| 20-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 7-oxoresolvin D2 | a hydroxy polyunsaturated fatty acid |
| 12-oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 20-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-eicosatrienoate | a long-chain fatty acid |
| 20-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-eicosatrienoate | a hydroxy-epoxy-eicosatetraenoate |
| 12-oxo-(5S)-hydroxy-(6Z,8E,14Z)-eicosatrienoate | a long-chain fatty acid |
| N(6)-methyl-dAMP residue | a deoxyribonucleotide residue |
| N(6)-methyl-dAMP residue | purine residue |
| 10,11-dihydro-20-trihydroxy-leukotriene B4 | a monocarboxylate |
| 10,11-dihydro-20-trihydroxy-leukotriene B4 | a fatty acid |
| 10,11-dihydro-20-trihydroxy-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| 10,11-dihydro-20-trihydroxy-leukotriene B4 | a long-chain fatty acid |
| 10,11-dihydro-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| 10,11-dihydro-leukotriene B4 | a monocarboxylate |
| 10,11-dihydro-leukotriene B4 | a long-chain fatty acid |
| 10,11-dihydro-leukotriene B4 | a fatty acid |
| 4-oxohex-2-enedioate | oxo dicarboxylic acid |
| 12-oxo-20-hydroxy-leukotriene B4 | a fatty acid |
| 12-oxo-20-hydroxy-leukotriene B4 | a monocarboxylate |
| 12-oxo-20-hydroxy-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| 12-oxo-20-hydroxy-leukotriene B4 | a long-chain fatty acid |
| 14,15-epoxy-(5Z,8Z,11Z,17Z)-eicosatetraenoate | a fatty acid |
| 8-nitro-cGMP | a nucleoside 3',5'-cyclic phosphate |
| mannosylinositol phosphophytoceramide | an inositol-1-phosphoceramide |
| 14,15-epoxy-(5Z,8Z,11Z,17Z)-eicosatetraenoate | a monocarboxylate |
| 14,15-epoxy-(5Z,8Z,11Z,17Z)-eicosatetraenoate | a long-chain fatty acid |
| benzoyl-AMP | a nucleoside 5'-phosphate |
| benzoyl-AMP | a ribonucleoside 5'-phosphate |
| (8S,9S)-dihydroxy-(5Z,11Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| (8R,9R)-dihydroxy-(5Z,11Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| a 7(1),7(1)-dihydroxybacteriochlorophyllide c | a chlorophyll |
| a 7(1),7(1)-dihydroxybacteriochlorophyllide c | a chlorophyllide |
| 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1D-myo-inositol) | 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol) |
| 2,4-didehydro-3-deoxy-L-rhamnonate | a monocarboxylate |
| (14R,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| (14R,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| 3,5-dimethylorsellinate | an aromatic carboxylate |
| 6-(alpha-D-glucose-1-phospho)-alpha-D-mannosyl derivative | alpha-D-hexose 1-phosphate |
| 4-carboxyzymosterol | a monocarboxylate |
| pyrimidine residue | a deoxyribonucleotide residue |
| 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol | 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol) |
| (E)-4-hydroxynon-2-enoate | a medium chain fatty acid |
| 2-hydroxydecanoyl-CoA | a medium-chain fatty acyl-CoA |
| (R)-2-hydroxyglutaryl-CoA | an acyl-CoA |
| (15S)-hydroperoxy-(11Z,13E)-eicosadienoate | a long-chain fatty acid |
| (15S)-hydroperoxy-(8Z,11Z,13E)-eicosatrienoate | a long-chain fatty acid |
| maleamate | a monoamide of a dicarboxylate |
| 1D-myo-inositol 1,2,4,5,6-pentakisphosphate | a myo-inositol phosphate |
| 4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol | a monocarboxylate |
| 18-HEPE | a hydroxy polyunsaturated fatty acid |
| (18R)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate | 18-HEPE |
| UMP | a nucleoside 5'-phosphate |
| alpha-D-mannuronate | D-mannuronate |
| alpha-D-mannuronate | D-mannonate |
| (2Z,6E)-farnesyl diphosphate | a polyprenol phosphate |
| a 2'-deoxyribonucleoside 5'-triphosphate | a nucleoside 5'-phosphate |
| CMP | a nucleoside 5'-phosphate |
| N-acetyl-D-tryptophan | an N-acetyl-D-amino acid |
| 4-hydroxy-3-all-trans-octaprenylbenzoate | an aromatic carboxylate |
| N-acetyl-beta-neuraminate | an N-acylneuraminate |
| N-acetyl-beta-neuraminate | N-acetylneuraminate |
| a 7(1)-hydroxybacteriochlorophyllide d | a chlorophyll |
| a 7(1)-hydroxybacteriochlorophyllide d | a chlorophyllide |
| dolichyl beta-D-mannosyl phosphate | a polyprenol phosphate |
| (12S)-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoate | 12-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoate |
| dolichyl beta-D-mannosyl phosphate | dolichyl D-mannosyl phosphate |
| all-trans-5,6-epoxyretinoyl-1-O-(beta-D-glucuronate) | a beta-D-glucuronoside |
| 4-nitrobenzoate | an aromatic carboxylate |
| N-acyl-L-aspartate | an N-acyl-L-amino acid |
| 20-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| 17-hydroxy-(9Z,12Z)-octadecadienoate | a hydroxy polyunsaturated fatty acid |
| N(6)-methyl-AMP | a nucleoside 5'-phosphate |
| (9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside | an (omega-1)-hydroxy fatty acid |
| D-mannose 6-phosphate | D-hexose phosphate |
| 6-trans-leukotriene B4 | a long-chain fatty acid |
| 4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinoate | a beta-D-glucuronoside |
| 6-trans-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| 2-methoxybenzoate | an aromatic carboxylate |
| alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| 5-diphospho-1D-myo-inositol 1,3,4,6-tetrakisphosphate | a myo-inositol phosphate |
| 5-methylorsellinate | an aromatic carboxylate |
| N-malonylanthranilate | a monoamide of a dicarboxylate |
| 12-hydroxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoate | a long-chain fatty acid |
| (2R,3S)-beta-methylmalyl-CoA | an acyl-CoA |
| 2-methylfumaryl-CoA | an acyl-CoA |
| acetylsalicylate | an aromatic carboxylate |
| 4-hydroxy-3-methoxybenzoate | an aromatic carboxylate |
| resolvin E2 | a hydroxy polyunsaturated fatty acid |
| 6-oxocyclohex-1-ene-1-carbonyl-CoA | a 3-oxo-fatty acyl-CoA |
| staphyloferrin A | a carboxylate |
| resolvin D2 | a hydroxy polyunsaturated fatty acid |
| N-propanoylglycine | an N-acylglycine |
| 3-methoxybenzoate | an aromatic carboxylate |
| CMP-N-acetyl-beta-neuraminate | a CMP-N-acyl-beta-neuraminate |
| coproporphyrinogen I | a carboxylate |
| 6-oxocyclohex-1-ene-1-carbonyl-CoA | a fatty acyl-CoA |
| (5S,12R)-dihydroxy-(6Z,8E,10E,14Z)-eicosapentaenoate | a long-chain fatty acid |
| 9-hydroxy-(5E,7E,11E,14E,17E)-eicosapentaenoate | a long-chain fatty acid |
| uroporphyrinogen I | a carboxylate |
| crocetin | a fatty acid |
| crocetin | a monocarboxylate |
| hexanedioyl-CoA | an acyl-CoA |
| N-acetyl-alpha-neuraminate | an N-acylneuraminate |
| N-acetyl-alpha-neuraminate | N-acetylneuraminate |
| 4-O-[di(2R)-glycerylphospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (3S)-hydroxy-3-methylglutaryl-CoA | an acyl-CoA |
| (3S)-hydroxy-3-methylglutaryl-CoA | a 3-hydroxy-fatty acyl-CoA |
| (3S)-hydroxy-3-methylglutaryl-CoA | omega-dicarboxyl-CoA |
| (3S)-hydroxy-3-methylglutaryl-CoA | a fatty acyl-CoA |
| 4-O-[1-D-ribitylphospho-(2R)-1-glycerylphospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| N-sulfo-D-glucosamine | a sulfamate |
| a cardiolipin | a phosphatidylglycerol |
| dIDP | a nucleoside 5'-phosphate |
| dIDP | a ribonucleoside 5'-diphosphate |
| gibberellin A14 | a monocarboxylate |
| an inositol phosphomannosylnositol-1-phospho-N-acylsphingoid base | an inositol-1-phosphoceramide |
| dihydroxyfumarate | a 2-hydroxydicarboxylate |
| quinaldate | an aromatic carboxylate |
| succinyl-CoA | an acyl-CoA |
| 3-O-methylgallate | an aromatic carboxylate |
| 2-hydroxyoctadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| ddTTP | a ribonucleoside 5'-triphosphate |
| (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a hydroxy polyunsaturated fatty acid |
| 2'-phospho-cyclic ADP-ribose | kaempferol 7-O-beta-D-glucoside |
| ITP | a nucleoside 5'-phosphate |
| isorhamnetin | a flavonol oxoanion |
| a (2R)-2-methylacyl-CoA | a fatty acyl-CoA |
| (2E)-2-methylpropenoyl-CoA | an acyl-CoA |
| (S)-malyl-CoA | a (3S)-3-hydroxyacyl-CoA |
| (S)-malyl-CoA | an acyl-CoA |
| (3S)-citryl-CoA | a (3S)-3-hydroxyacyl-CoA |
| (3S)-citryl-CoA | an acyl-CoA |
| polycis-polyprenyl diphosphate | a polyprenol phosphate |
| (11Z)-tetradecenoyl-CoA | a long-chain fatty acyl-CoA |
| (R)-methylmalonyl-CoA | an acyl-CoA |
| (R)-methylmalonyl-CoA | methylmalonyl-CoA |
| 3-hydroxy-4-methylanthranilate | an aromatic carboxylate |
| (S)-methylmalonyl-CoA | an acyl-CoA |
| (S)-methylmalonyl-CoA | methylmalonyl-CoA |
| 3-oxohexanoyl-CoA | a 3-oxo-fatty acyl-CoA |
| 3-oxohexanoyl-CoA | an acyl-CoA |
| 2-dehydro-3-deoxy-L-arabinonate | a 2-oxocarboxylate |
| 2-dehydro-3-deoxy-L-arabinonate | a monocarboxylate |
| 3-hydroxyisovaleryl-CoA | a 3-hydroxy-fatty acyl-CoA |
| 3-oxohexanoyl-CoA | a fatty acyl-CoA |
| 3-hydroxyisovaleryl-CoA | an acyl-CoA |
| 12-octadecanoyloxy-octadecanoate | a fatty acid |
| 12-octadecanoyloxy-octadecanoate | a long-chain fatty acid |
| 12-octadecanoyloxy-octadecanoate | 12-hydroxyoctadecanoate |
| 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA | an acyl-CoA |
| 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA | an acyl-CoA |
| 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA | a fatty acyl-CoA |
| 3-oxodecanoyl-CoA | a fatty acyl-CoA |
| 3-hydroxyisovaleryl-CoA | a short-chain fatty acyl-CoA |
| 3-hydroxyisovaleryl-CoA | a fatty acyl-CoA |
| 3-oxotetradecanoyl-CoA | a 3-oxo-fatty acyl-CoA |
| tetradecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 3-oxodecanoyl-CoA | a 3-oxo-fatty acyl-CoA |
| 3-oxodecanoyl-CoA | an acyl-CoA |
| a 4-hydroxy-3-polyprenylbenzoate | an aromatic carboxylate |
| 4-methyl-3-oxopentanoate | a fatty acid |
| 5-oxoproline | a monocarboxylate |
| 3-hydroxy-6-carboxyhexanoyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| 3-hydroxy-6-carboxyhexanoyl-CoA | a fatty acyl-CoA |
| 3-hydroxy-6-carboxyhexanoyl-CoA | an acyl-CoA |
| FMNH2 | an oxidized flavin |
| FMNH2 | a nucleoside 5'-phosphate |
| 6-hydroxy-3-isopropenylheptanoate | a medium chain fatty acid |
| 4-methyl-3-oxopentanoate | a 3-oxo fatty acid |
| 4-methyl-3-oxopentanoate | a 3-oxo acid |
| FMNH2 | a ribonucleoside 5'-phosphate |
| 3-methyl-(2E)-butenoyl-CoA | a short-chain fatty acyl-CoA |
| 3-methyl-(2E)-butenoyl-CoA | a fatty acyl-CoA |
| 6-amino-6-deoxyfutalosine | an aromatic carboxylate |
| (2E)-geranyl diphosphate | a polyprenol phosphate |
| 3-methyl-(2E)-glutaconyl-CoA | a fatty acyl-CoA |
| 3-methyl-(2E)-glutaconyl-CoA | an acyl-CoA |
| dolichyl D-xylosyl phosphate | a polyprenol phosphate |
| N(2),6-disulfo-D-glucosamine | a sulfamate |
| (19R,20S)-epoxy-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoate | 19,20-epoxy-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoate |
| (3S)-hydroxyhexadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 3-oxo-6-carboxyhexanoyl-CoA | a fatty acyl-CoA |
| 3-oxo-6-carboxyhexanoyl-CoA | an acyl-CoA |
| 3-oxo-6-carboxyhexanoyl-CoA | a 3-oxo-fatty acyl-CoA |
| 8,9-epoxy-(5Z,11Z,14Z,17Z)-eicosatetraenoate | a monocarboxylate |
| MurNAc-L-Ala-D-isoglutaminyl-L-Lys-(N(6)-penta-Gly)-D-Ala-D-Ala-diphospho-di-trans,octa-cis-undecaprenyl-GlcNAc | a polyprenol phosphate |
| 8,9-epoxy-(5Z,11Z,14Z,17Z)-eicosatetraenoate | a long-chain fatty acid |
| (19S,20R)-epoxy-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoate | 19,20-epoxy-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoate |
| 8,9-epoxy-(5Z,11Z,14Z,17Z)-eicosatetraenoate | a fatty acid |
| 11,12-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate | a monocarboxylate |
| 4-aminobutanoyl-CoA | an acyl-CoA |
| 11,12-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate | a fatty acid |
| 4-aminobutanoyl-CoA | a short-chain fatty acyl-CoA |
| 4-aminobutanoyl-CoA | a fatty acyl-CoA |
| 11,12-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate | a long-chain fatty acid |
| 2-hydroxyglutaryl-CoA | an acyl-CoA |
| (2E)-glutaconyl-CoA | a fatty acyl-CoA |
| (2E)-butenoyl-CoA | a 2,3-dehydroacyl-CoA |
| p-cumate | an aromatic carboxylate |
| (2E)-butenoyl-CoA | but-2-enoyl-CoA |
| (2E)-glutaconyl-CoA | an acyl-CoA |
| (3S)-3-hydroxydodecanoyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| (3S)-3-hydroxydodecanoyl-CoA | a (3S)-3-hydroxyacyl-CoA |
| (2E)-butenoyl-CoA | a fatty acyl-CoA |
| (S)-3-hydroxyisobutanoyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| adenosine 5'-tetraphosphate | a nucleoside 5'-phosphate |
| (S)-3-hydroxyisobutanoyl-CoA | a fatty acyl-CoA |
| 5-hydroxythiophene-2-carbonyl-CoA | an acyl-CoA |
| 4-coumaroyl-CoA | a fatty acyl-CoA |
| (3S)-hydroxyhexanoyl-CoA | a fatty acyl-CoA |
| 13-hydroxy-octadecanoate | a long-chain fatty acid |
| 5-hydroxy-octadecanoate | a long-chain fatty acid |
| beta-alanyl-CoA | an acyl-CoA |
| 4-O-phospho-L-tyrosine | a carboxylate |
| glutaryl-CoA | an acyl-CoA |
| 5-methyl dCMP residue | a deoxyribonucleotide residue |
| 10-hydroxy-(11S,12S)-epoxy- (5Z,8Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| (4R)-4-hydroxy-2-oxoglutarate | oxo dicarboxylic acid |
| (9Z)-hexadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 7,8-dihydroxykynurenate | an aromatic carboxylate |
| a (3Z)-enoyl-CoA | a fatty acyl-CoA |
| 6-carboxyhex-2-enoyl-CoA | an acyl-CoA |
| 6-carboxyhex-2-enoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxytetradecanoate | 3-hydroxytetradecanoate |
| 6-oxohexanoate | a medium chain fatty acid |
| 3-dehydro-2-deoxy-D-gluconate | a monocarboxylate |
| 6-carboxyhexanoyl-CoA | an acyl-CoA |
| 6-hydroxycyclohex-1-ene-1-carbonyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| 2-succinylbenzoyl-CoA | an acyl-CoA |
| 6-hydroxycyclohex-1-ene-1-carbonyl-CoA | a fatty acyl-CoA |
| 18-hydroxy-9,10-epoxy-octadecanoate | a long-chain fatty acid |
| 5-hydroxy-2-furoyl-CoA | an acyl-CoA |
| 4-hydroxy-3-all-trans-hexaprenylbenzoate | an aromatic carboxylate |
| (10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 2,5-dihydroxybenzoate | an aromatic carboxylate |
| pyridinium-3,5-dicarboxylate mononucleotide | a ribonucleoside 5'-phosphate |
| pyridinium-3,5-bisthiocarboxylate mononucleotide | a ribonucleoside 5'-phosphate |
| (3S)-3-aminobutanoyl-CoA | an acyl-CoA |
| (3S)-3-aminobutanoyl-CoA | 3-aminobutanoyl-CoA |
| (3S)-3-aminobutanoyl-CoA | a short-chain fatty acyl-CoA |
| (3S)-3-aminobutanoyl-CoA | a fatty acyl-CoA |
| Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide | a ribonucleoside 5'-phosphate |
| 4,5-dihydroxyphthalate | an aromatic carboxylate |
| (8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| acryloyl-CoA | a fatty acyl-CoA |
| 19-hydroxy-leukotriene B4 | a fatty acid |
| 19-hydroxy-leukotriene B4 | a long-chain fatty acid |
| 19-hydroxy-leukotriene B4 | a monocarboxylate |
| 19-hydroxy-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| beta-D-mannosyl-(1->4)-N,N'-diacetylchitobiosyldiphosphodolichol | a polyprenol phosphate |
| beta-D-mannosyl-(1->4)-N,N'-diacetylchitobiosyldiphosphodolichol | dolichyl diphosphooligosaccharide |
| 18-hydroxy-leukotriene B4 | a long-chain fatty acid |
| 18-hydroxy-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| 18-hydroxy-leukotriene B4 | a monocarboxylate |
| 18-hydroxy-leukotriene B4 | a fatty acid |
| (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a monocarboxylate |
| (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a fatty acid |
| (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| (2S)-2-acetolactate | a 3-oxo acid |
| (2S)-2-acetolactate | 2-acetolactate |
| (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a monocarboxylate |
| (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a fatty acid |
| (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a fatty acid |
| (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a monocarboxylate |
| 2-butyloctyl sulfate | an alkyl sulfate |
| (E)-2-benzylidenesuccinyl-CoA | an acyl-CoA |
| (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate | a long-chain fatty acid |
| cyclohexa-1,5-diene-1-carbonyl-CoA | a fatty acyl-CoA |
| 2-(beta-D-glucuronosyl)-D-glucuronate | a monocarboxylate |
| cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate | a polyunsaturated dicarboxylic fatty acid |
| all-trans-nonaprenyl diphosphate | a polyprenol phosphate |
| adenosine 5'-phosphosulfate | an acyl phosphate |
| (3R)-3-hydroxy-L-glutamate | 3-hydroxy-L-glutamate |
| alpha-D-Gal-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| 1',3'-bis-[1,2-di-(tetradecanoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| a 2-omega-(methylsulfanyl)alkylmalate | a 2-hydroxydicarboxylate |
| dAMP | a nucleoside 5'-phosphate |
| dAMP | a ribonucleoside 5'-phosphate |
| a 3-(omega-methylsulfanyl)alkylmalate | a 2-hydroxydicarboxylate |
| hexadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| geranoyl-CoA | a fatty acyl-CoA |
| (2E)-tetradecenoyl-CoA | a long-chain fatty acyl-CoA |
| (2E)-tetradecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| beta-D-glucose 6-phosphate | D-hexose phosphate |
| 3-(2-methylsulfanyl)ethylmalate | a 2-hydroxydicarboxylate |
| dITP | a nucleoside 5'-phosphate |
| dITP | a ribonucleoside 5'-triphosphate |
| itaconyl-CoA | a fatty acyl-CoA |
| itaconyl-CoA | an acyl-CoA |
| octanoate | a medium chain fatty acid |
| 3-ADP-2-phosphoglycerate | 3-ADP-glycerate |
| beta-D-glucose 6-phosphate | D-glucose 6-phosphate |
| beta-D-glucose 6-phosphate | D-hexose 6-phosphate |
| 3-(3-methylsulfanyl)propylmalate | a 2-hydroxydicarboxylate |
| (2E)-hexadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| N-glycoloyl-alpha-neuraminate | an N-acylneuraminate |
| 3-phosphonopyruvate | a 2-oxocarboxylate |
| D-glucose 6-phosphate | D-hexose phosphate |
| 4alpha-carboxy-4beta-methyl-5alpha-cholest-7-ene-3beta-ol | a monocarboxylate |
| alpha-D-glucose 1,6-bisphosphate | D-glucose 1,6-bisphosphate |
| 3-oxopropanoyl-CoA | a fatty acyl-CoA |
| 3-oxopropanoyl-CoA | a short-chain fatty acyl-CoA |
| 2-oxohexadecanoate | a fatty acid |
| 2-oxohexadecanoate | a long-chain fatty acid |
| di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (4S)-4-hydroxy-L-glutamate | 4-hydroxy-L-glutamate |
| (2E)-hexenoyl-CoA | a (2E)-enoyl-CoA |
| di-trans-octa-cis-undecaprenyl diphospho-[N-acetyl-alpha-D-glucosaminyl-(1->4)]-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine | a polyprenol phosphate |
| (5S,6S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate | a hydroxy polyunsaturated fatty acid |
| bacteriochlorophyll a | a chlorophyll |
| (2S)-2-methyltetradecanoyl-CoA | a (2R)-2-methylacyl-CoA |
| 8,12-diethyl-3-vinylbacteriochlorophyllide d | a chlorophyll |
| 8,12-diethyl-3-vinylbacteriochlorophyllide d | a chlorophyllide |
| riboflavin cyclic-4',5'-phosphate | an oxidized flavin |
| riboflavin cyclic-4',5'-phosphate | a nucleoside 5'-phosphate |
| riboflavin cyclic-4',5'-phosphate | a ribonucleoside 5'-phosphate |
| 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d | a chlorophyll |
| 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d | a chlorophyllide |
| N-benzoyl-4-hydroxyanthranilate | an aromatic carboxylate |
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d | a chlorophyll |
| 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d | a chlorophyllide |
| 18-oxo-resolvin E1 | a hydroxy polyunsaturated fatty acid |
| dUDP | a nucleoside 5'-phosphate |
| dUDP | a ribonucleoside 5'-diphosphate |
| 7,8-dihydro-7,8-dihydroxykynurenate | an aromatic carboxylate |
| 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero-3'-phosphate) | a phosphatidylglycerol phosphate |
| 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero-3'-phosphate) | a phosphatidylglycerol |
| UDP-N-acetyl-beta-D-mannosaminouronate | UDP-N-acetyl-D-mannosaminouronate |
| CTP(3-) | a nucleoside 5'-phosphate |
| carbamoyl phosphate | an acyl phosphate |
| a long-chain fatty acyl-AMP | a nucleoside 5'-phosphate |
| a long-chain fatty acyl-AMP | a ribonucleoside 5'-phosphate |
| CTP(3-) | a ribonucleoside 5'-triphosphate |
| CTP(3-) | CTP |
| dolichyl N-acetyl-alpha-D-glucosaminyl phosphate | a polyprenol phosphate |
| IDP | a nucleoside 5'-phosphate |
| heparosan-N-sulfate D-glucuronate | a monocarboxylate |
| (indol-3-yl)acetyl-L-aspartate | an N-acyl-L-amino acid |
| heparosan-N-sulfate D-glucuronate | D-glucuronate |
| OPC-8 | a carboxylate |
| OPC-8 | a monocarboxylate |
| OPC-8 | a fatty acid |
| gibberellin A1 | a monocarboxylate |
| monomethyl sulfate | an alkyl sulfate |
| OPC-8 | carbocyclic fatty acid |
| ganglioside GD2 (d18:1(4E)) | ganglioside GD2 |
| gibberellin A20 | a monocarboxylate |
| a nucleoside 2'-phosphate | a ribonucleoside 5'-phosphate |
| (2S)-2-hydroxyphytanate | a 2-hydroxy fatty acid |
| 5-oxo-(6E,8Z,11Z)-eicosatrienoate | a monocarboxylate |
| 5-oxo-(6E,8Z,11Z)-eicosatrienoate | a fatty acid |
| 5-oxo-L-proline | a monocarboxylate |
| 5-oxo-(6E,8Z,11Z)-eicosatrienoate | a long-chain fatty acid |
| 5-oxo-L-proline | 5-oxoproline |
| 1D-myo-inositol 1,4-bisphosphate | a myo-inositol phosphate |
| (3E)-2-oxohex-3-enedioate | oxo dicarboxylic acid |
| 3'-AMP | a ribonucleoside 5'-phosphate |
| 3'-AMP | a ribonucleoside 3'-phosphate |
| 19-(4-hydroxyphenyl)nonadecanoyl-5'-AMP | a nucleoside 5'-phosphate |
| 19-(4-hydroxyphenyl)nonadecanoyl-5'-AMP | a ribonucleoside 5'-phosphate |
| 3-hydroxypropanoyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| 17-(4-hydroxyphenyl)heptadecanoyl-5'-AMP | a nucleoside 5'-phosphate |
| 17-(4-hydroxyphenyl)heptadecanoyl-5'-AMP | a ribonucleoside 5'-phosphate |
| 3-hydroxypropanoyl-CoA | a fatty acyl-CoA |
| trans,octa-cis-decaprenylphospho-beta-D-arabinofuranose | a polyprenol phosphate |
| 4-aminosalicylate | an aromatic carboxylate |
| docosanoyl-CoA | a very long-chain fatty acyl-CoA |
| 4-amino-4-deoxychorismate | a polyunsaturated dicarboxylic fatty acid |
| beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (2R,3S)-3-methylmalate | 3-methylmalate |
| trans,octa-cis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose | a polyprenol phosphate |
| N-succinyl-L-glutamate 5-semialdehyde | a monocarboxylate |
| N-succinyl-L-glutamate 5-semialdehyde | a monoamide of a dicarboxylate |
| N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octa-cis-decaprenol | a polyprenol phosphate |
| 3'-UMP | a ribonucleoside 5'-phosphate |
| 3'-UMP | a ribonucleoside 3'-phosphate |
| trans,octa-cis-decaprenyl phosphate | a polyprenol phosphate |
| 2-hydroxy-ATP | a nucleoside 5'-phosphate |
| D-erythronate | a fatty acid |
| (3R)-hydroxy-(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 2-hydroxy-AMP | a nucleoside 5'-phosphate |
| (3R)-hydroxy-(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| O-phospho-D-serine | a carboxylate |
| picolinate | an aromatic carboxylate |
| Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA | a fatty acyl-CoA |
| (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| isophthalate | an aromatic carboxylate |
| (2E,6E,10E,14E)-geranylfarnesyl diphosphate | a polyprenol phosphate |
| (3R)-hydroxy-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| phenylacetylglycine | an N-acylglycine |
| alpha-D-mannose 6-phosphate | D-hexose phosphate |
| alpha-D-mannose 6-phosphate | D-mannose 6-phosphate |
| alpha-D-mannose 6-phosphate | D-hexose 6-phosphate |
| 5-methyl-dCTP | a 2'-deoxyribonucleoside 5'-triphosphate |
| 5-methyl-dCTP | a ribonucleoside 5'-triphosphate |
| 5-methyl-dCTP | a nucleoside 5'-phosphate |
| (3R)-hydroxy-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-D-isoglutaminyl-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 4-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate | a monocarboxylate |
| (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| oroxylin A 7-O-beta-D-glucuronate | a beta-D-glucuronoside |
| dIMP | a nucleoside 5'-phosphate |
| dIMP | a ribonucleoside 5'-phosphate |
| (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| dinoflagellate luciferin | a carboxylate |
| (23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| oxidized dinoflagellate luciferin | oxo dicarboxylic acid |
| (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | a fatty acyl-CoA |
| dinoflagellate luciferin | oxo dicarboxylic acid |
| D-mannosyl di-trans,octa-cis-undecaprenyl phosphate | a polyprenol phosphate |
| (5Z,7E,9E,14Z,17Z)-icosapentaenoate | a long-chain fatty acid |
| (2Z,6Z)-farnesyl diphosphate | a polyprenol phosphate |
| 3'-GMP | a ribonucleoside 5'-phosphate |
| biotinyl-5'-AMP | a ribonucleoside 5'-phosphate |
| biotinyl-5'-AMP | a nucleoside 5'-phosphate |
| 20-hydroxy-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoate | a long-chain fatty acid |
| (R)-carnitinyl-CoA | an acyl-CoA |
| 4-carboxy-2-thioxobutanoyl-CoA | an acyl-CoA |
| 3'-GMP | a ribonucleoside 3'-phosphate |
| (R)-carnitinyl-CoA | a fatty acyl-CoA |
| (R)-carnitinyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| XTP | a nucleoside 5'-phosphate |
| erythro-3-hydroxy-L-aspartate | (3R)-3-hydroxy-L-aspartate |
| 3-aminobutanoyl-CoA | an acyl-CoA |
| 6-methylsalicylate | an aromatic carboxylate |
| 3-aminobutanoyl-CoA | a fatty acyl-CoA |
| 3-aminobutanoyl-CoA | a short-chain fatty acyl-CoA |
| alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octa-cis-decaprenol | a polyprenol phosphate |
| beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans-octa-cis-decaprenol | a polyprenol phosphate |
| XDP | a nucleoside 5'-phosphate |
| XDP | a ribonucleoside 5'-diphosphate |
| beta-D-galactofuranosyl-(1->5)-beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octa-cis-decaprenol | a polyprenol phosphate |
| nicotinate | an aromatic carboxylate |
| (Z)-2,3-didehydroadipyl-CoA | a fatty acyl-CoA |
| xanthurenate | an aromatic carboxylate |
| [beta-D-galactofuranosyl-(1->5)-beta-D-galactofuranosyl-(1->6)]14-beta-D-galactofuranosyl-(1->5)-beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octa-cis-decaprenol | a polyprenol phosphate |
| (Z)-2,3-didehydroadipyl-CoA | an acyl-CoA |
| dTDP-beta-L-rhamnose | dTDP-L-rhamnose |
| geranylgeranyl diphosphate | a polyprenol phosphate |
| (5Z,8Z,11Z,13E,15S)-hydroxyeicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| (5Z,8Z,11Z,13E,15S)-hydroxyeicosatetraenoate | 15-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoate |
| (10Z,15Z)-12-oxophytodienoate | a fatty acid |
| (10Z,15Z)-12-oxophytodienoate | carbocyclic fatty acid |
| (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate | a polyunsaturated dicarboxylic fatty acid |
| 6-hydroxy-FAD | an oxidized flavin |
| 1D-myo-inositol 3,4,5,6-tetrakisphosphate | a myo-inositol phosphate |
| 13R-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoate | a long-chain fatty acid |
| 2,3-dihydroxybenzoyl-5'-AMP | a ribonucleoside 5'-phosphate |
| bacteriochlorophyllide g | a chlorophyll |
| bacteriochlorophyllide g | a chlorophyllide |
| 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde | a monocarboxylate |
| 2,3-dihydroxybenzoyl-5'-AMP | a nucleoside 5'-phosphate |
| sn-glycerol 3-phosphate | glycerol 1-phosphate |
| juvenile hormone II carboxylate | a fatty acid |
| juvenile hormone II carboxylate | a long-chain fatty acid |
| 3-dehydro-L-gulonate | a monocarboxylate |
| ATP(3-) | ATP |
| ATP(3-) | a nucleoside 5'-phosphate |
| ATP(3-) | a ribonucleoside 5'-triphosphate |
| (2S)-2-phospholactate | a carboxylate |
| (1-hydroxycyclohexan-1-yl)acetyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| (1-hydroxycyclohexan-1-yl)acetyl-CoA | a fatty acyl-CoA |
| dADP | a nucleoside 5'-phosphate |
| 1D-myo-inositol 1,3,4,6-tetrakisphosphate | a myo-inositol phosphate |
| (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA | a (3S)-3-hydroxyacyl-CoA |
| dADP | a ribonucleoside 5'-diphosphate |
| (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA | a short-chain fatty acyl-CoA |
| (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA | a fatty acyl-CoA |
| (3R)-3-hydroxybutanoyl-CoA | 3-hydroxybutanoyl-CoA |
| N-benzoyl-4-methoxyanthranilate | an aromatic carboxylate |
| (3S)-3-hydroxybutanoyl-CoA | 3-hydroxybutanoyl-CoA |
| a mannosylinositol phospho-N-acyleicosasphinganine | an inositol-1-phosphoceramide |
| nerylneryl diphosphate | geranylgeranyl diphosphate |
| a (3E)-enoyl-CoA | a fatty acyl-CoA |
| (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate | 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate |
| (E,E)-piperoyl-CoA | a fatty acyl-CoA |
| nerylneryl diphosphate | a polyprenol phosphate |
| oxomalonate | oxo dicarboxylic acid |
| N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (S)-muconolactone | muconolactone |
| (2E)-dodecenoyl-CoA | a (2E)-enoyl-CoA |
| (2E)-dodecenoyl-CoA | a medium-chain fatty acyl-CoA |
| inositol-1-phospho-N-acyl-4R-hydroxysphing-8E-enine | inositol-1-phosphophytoceramide |
| alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| (2E,6E,10E)-geranylgeranyl diphosphate | a polyprenol phosphate |
| (2E,6E,10E)-geranylgeranyl diphosphate | geranylgeranyl diphosphate |
| alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol | a polyprenol phosphate |
| 2-hydroxyphytanoyl-CoA | a long-chain fatty acyl-CoA |
| 4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate | a monocarboxylate |
| 4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate | a carboxylate |
| 4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate | a phosphate monoester |
| (R)-2-hydroxy-4-methylpentanoate | a (2R)-2-hydroxycarboxylate |
| 2-hydroxyphytanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| S-(hydroxymethyl)glutathione | an S-substituted glutathione |
| 1D-myo-inositol 1,2,3,5,6-pentakisphosphate | a myo-inositol phosphate |
| 2-methyl-3-oxobutanoyl-CoA | a 3-oxo-fatty acyl-CoA |
| 2-methyl-3-oxobutanoyl-CoA | a fatty acyl-CoA |
| (2E)-2-methylbut-2-enoyl-CoA | a fatty acyl-CoA |
| 3-hydroxy-2-methylpropanoyl-CoA | a short-chain fatty acyl-CoA |
| (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate | a polyunsaturated dicarboxylic fatty acid |
| 3-hydroxy-2-methylpropanoyl-CoA | a fatty acyl-CoA |
| 3-oxoadipyl-CoA | an acyl-CoA |
| 3-oxoadipyl-CoA | a fatty acyl-CoA |
| 3-oxoadipyl-CoA | a 3-oxo-fatty acyl-CoA |
| 4,8,12-trimethyltridecanoyl-CoA | a long-chain fatty acyl-CoA |
| 4,8,12-trimethyltridecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 2-(3-methylsulfanyl)propylmalate | a 2-hydroxydicarboxylate |
| malonyl-CoA | an acyl-CoA |
| N-acetyl-D-glucosamine 6-phosphate | an N-acyl-D-glucosamine 6-phosphate |
| oxalyl-CoA | an acyl-CoA |
| dehypoxanthine futalosine | an aromatic carboxylate |
| coproporphyrinogen III | a carboxylate |
| D-alanyl-alanyl-poly(glycerolphosphate) | alanyl poly(glycerol phosphate) |
| dolichyl D-mannosyl phosphate | a polyprenol phosphate |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| O-phospho-L-serine | a carboxylate |
| (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA | a fatty acyl-CoA |
| dolichyl beta-D-glucosyl phosphate | a polyprenol phosphate |
| (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (R)-3-(indol-3-yl)lactate | a (2R)-2-hydroxycarboxylate |
| citramalyl-CoA | an acyl-CoA |
| citramalyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| N(6)-(dimethylallyl)adenosine 5'-phosphate | a nucleoside 5'-phosphate |
| citramalyl-CoA | a fatty acyl-CoA |
| N(6)-(dimethylallyl)adenosine 5'-phosphate | a ribonucleoside 5'-phosphate |
| (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA | a fatty acyl-CoA |
| (E)-sinapoyl-CoA | a (2E)-enoyl-CoA |
| (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| L-serine O-sulfate | a carboxylate |
| (E)-sinapoyl-CoA | a fatty acyl-CoA |
| 4-phospho-L-aspartate | a carboxylate |
| (3R)-hydroxy-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| octadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| vinylacetyl-CoA | a 2,3-dehydroacyl-CoA |
| vinylacetyl-CoA | a fatty acyl-CoA |
| UTP | a nucleoside 5'-phosphate |
| orotidine 5'-phosphate | a nucleoside 5'-phosphate |
| UTP | UTP (3-) |
| orotidine 5'-phosphate | a ribonucleoside 5'-phosphate |
| (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA | a fatty acyl-CoA |
| (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoate | a long-chain fatty acid |
| citramalate | a 2-hydroxydicarboxylate |
| (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA | a fatty acyl-CoA |
| (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxyhexadecanedioyl-CoA | an acyl-CoA |
| (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxyhexadecanedioyl-CoA | a (3R)-3-hydroxyacyl-CoA |
| (3R)-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| S-succinylglutathione | an S-substituted glutathione |
| S-succinylglutathione | S-acylglutathione |
| L-threonate | a fatty acid |
| (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA | a fatty acyl-CoA |
| (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 1-O-hexadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate | monoacyl-sn-glycero-3-phosphate |
| 11-methyldodecanoate | a medium chain fatty acid |
| (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| dolichyl diphosphooligosaccharide | a polyprenol phosphate |
| 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate | a carboxylate |
| 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate | an aromatic carboxylate |
| (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| aldehydo-D-glucose 6-phosphate | D-hexose phosphate |
| (3R)-hydroxy-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 4-sulfobenzoate | an aromatic carboxylate |
| (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA | a fatty acyl-CoA |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| ATP(3-) | a ribonucleoside 5'-triphosphate |
| ATP(3-) | ATP |
| ATP(3-) | a nucleoside 5'-phosphate |
| neryl diphosphate | a polyprenol phosphate |
| FADH2 | an oxidized flavin |
| adenosine 2'-phosphate | a ribonucleoside 5'-phosphate |
| adenosine 2'-phosphate | a nucleoside 2'-phosphate |
| 3-oxo-3-phenylpropanoate | a 3-oxo acid |
| 1D-myo-inositol 3,4-bisphosphate | a myo-inositol phosphate |
| dodecyl sulfate | an alkyl sulfate |
| 1'-[1,2-diacyl-sn-glycero-3-phospho],3'-[1-acyl-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| 1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol | 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol) |
| (3R,6R)-6-hydroxy-3-isopropenylheptanoate | a medium chain fatty acid |
| (3S,6R)-6-hydroxy-3-isopropenylheptanoate | a medium chain fatty acid |
| cyclic dehypoxanthinylfutalosinate | an aromatic carboxylate |
| (12R)-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoate | 12-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoate |
| N-formylanthranilate | an aromatic carboxylate |
| XMP | a nucleoside 5'-phosphate |
| thymidine 3'-monophosphate | a ribonucleoside 5'-phosphate |
| (2R,3S)-2,3-dimethylmalate | a 2-hydroxydicarboxylate |
| thymidine 3'-monophosphate | a nucleoside 3'-phosphate |
| 3,6-dichloro-2-methoxybenzoate | an aromatic carboxylate |
| 3,4-dihydroxy-5-all-trans-polyprenylbenzoate | an aromatic carboxylate |
| (S)-2-hydroxyglutarate | a 2-hydroxydicarboxylate |
| 3-maleylpyruvate | oxo dicarboxylic acid |
| sn-glycero-3-phospho-L-serine | a carboxylate |
| (S)-lactate | a (2S)-2-hydroxycarboxylate |
| (12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate | a hydroperoxyeicosatetraenoate |
| (15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate | 15-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate |
| D-glyceraldehyde 3-phosphate | glyceraldehyde 3-phosphate |
| 5-amino-2-hydroxybenzoate | an aromatic carboxylate |
| 3-amino-4-hydroxybenzoate | an aromatic carboxylate |
| (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate | a long-chain fatty acid |
| (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate | a fatty acid |
| (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate | a hydroxy polyunsaturated fatty acid |
| (5S)-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoate | 5-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoate |
| 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate | a myo-inositol phosphate |
| di-trans,nona-cis-dodecaprenyl diphosphate | a polyprenol phosphate |
| (6S)-5,6,7,8-tetrahydrofolate | 5,6,7,8-tetrahydrofolate |
| triphosphate(4-) | triphosphate |
| leukotriene B4 | a fatty acid |
| leukotriene B4 | a long-chain fatty acid |
| leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| 2-oxo-dATP | a nucleoside 5'-phosphate |
| 2-oxo-dATP | a ribonucleoside 5'-triphosphate |
| 2-oxo-dATP | a 2'-deoxyribonucleoside 5'-triphosphate |
| Man-beta1-6-Ins-1-P-Cer(d18:0/24:0) | a mannosyl-alpha-1->6-inositol phospho-N-acylsphinganine |
| Man-beta1-6-Ins-1-P-Cer(d18:0/24:0) | an inositol-1-phosphoceramide |
| leukotriene A4 | a fatty acid |
| leukotriene A4 | a long-chain fatty acid |
| 8-oxo-dGTP | a 2'-deoxyribonucleoside 5'-triphosphate |
| 8-oxo-dGTP | a ribonucleoside 5'-triphosphate |
| 8-oxo-dGTP | a nucleoside 5'-phosphate |
| TTP | a ribonucleoside 5'-triphosphate |
| TTP | a nucleoside 5'-phosphate |
| 18-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| L-threonyl-5'-AMP | a ribonucleoside 5'-phosphate |
| L-threonyl-5'-AMP | a nucleoside 5'-phosphate |
| 9-ribosyl-trans-zeatin 5'-diphosphate | a nucleoside 5'-phosphate |
| 9-ribosyl-trans-zeatin 5'-diphosphate | a ribonucleoside 5'-diphosphate |
| 20-oxo-leukotriene B4 | a long-chain fatty acid |
| 15-oxo-(5S,6R)-dihydroxy-(7E,9E,11Z,13E)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| 15-oxo-(5S,6R)-dihydroxy-(7E,9E,11Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| (S)-4-hydroxy-2-oxopentanoate | a 2-oxocarboxylate |
| UTP (3-) | a nucleoside 5'-phosphate |
| UTP (3-) | a ribonucleoside 5'-triphosphate |
| UTP (3-) | UTP |
| 1D-myo-inositol 1,4,5-trisphosphate | a myo-inositol phosphate |
| (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucosiduronate | steroid glucuronate |
| 3,3',4',5,7,8-hexahydroxyflavone | a flavonol oxoanion |
| (12R)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate | a hydroperoxyeicosatetraenoate |
| 3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 2-oxo-dAMP | a 2'-deoxyribonucleoside 5'-phosphate |
| N-acetyl-alpha-D-glucosaminyl-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| N-acetyl-alpha-D-galactosaminyl-(1->4)-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tri-trans,heptacis-undecaprenyl diphosphate | a polyprenol phosphate |
| 2-oxo-dAMP | a ribonucleoside 5'-phosphate |
| 2-oxo-dAMP | a nucleoside 5'-phosphate |
| 3-hydroxy-5-methyl-1-naphthoate | an aromatic carboxylate |
| isopentadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| [alpha-D-GalNAc-(1->4)]2-[beta-D-Glc-(1->3)]-[alpha-D-GalNAc-(1->4)]2-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tri-trans,hepta-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| 8-oxo-dGMP | a 2'-deoxyribonucleoside 5'-phosphate |
| an all-trans-polyprenyl phosphate | a polyprenol phosphate |
| 3-hydroxyadipyl-CoA | an acyl-CoA |
| 8-oxo-dGMP | a nucleoside 5'-phosphate |
| 5,10-dihydrophenazine 1-carboxylate | an aromatic carboxylate |
| 8-oxo-dGMP | a ribonucleoside 5'-phosphate |
| 3-sulfinopropanoyl-CoA | an acyl-CoA |
| (2E,6E)-farnesyl diphosphate | a polyprenol phosphate |
| 3-oxo-5,6-didehydrosuberyl-CoA | an acyl-CoA |
| 1D-myo-inositol 1,2,3,4,5-pentakisphosphate | a myo-inositol phosphate |
| 2,3-didehydroadipoyl-CoA | a fatty acyl-CoA |
| 2,3-didehydroadipoyl-CoA | an acyl-CoA |
| (2E)-hexadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (Z)-2,3-didehydroadipyl-CoA | an acyl-CoA |
| 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero-3'-phosphate) | a phosphatidylglycerol phosphate |
| 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero-3'-phosphate) | a phosphatidylglycerol |
| (Z)-2,3-didehydroadipyl-CoA | a fatty acyl-CoA |
| methylmalonyl-CoA | an acyl-CoA |
| [beta-D-galactofuranosyl-(1->5)-beta-D-galactofuranosyl-(1->6)]14-beta-D-galactofuranosyl-(1->5)-beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octa-cis-decaprenol | a polyprenol phosphate |
| 4-carboxy-2-thioxobutanoyl-CoA | an acyl-CoA |
| 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde | a monocarboxylate |
| a phosphatidylglycerol phosphate | a phosphatidylglycerol |
| 8-oxo-dADP | a nucleoside 5'-phosphate |
| dTDP | a 2'-deoxyribonucleoside 5'-diphosphate |
| dTDP | a ribonucleoside 5'-diphosphate |
| 1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| dTDP | a nucleoside 5'-phosphate |
| 2-carboxytetracosanoyl-CoA | an acyl-CoA |
| 8-oxo-dADP | a 2'-deoxyribonucleoside 5'-diphosphate |
| 8-oxo-dADP | a ribonucleoside 5'-diphosphate |
| 3,4-dihydroxy-5-all-trans-hexaprenylbenzoate | an aromatic carboxylate |
| dodecanoyl-AMP | a nucleoside 5'-phosphate |
| 1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| 8-oxo-dAMP | a 2'-deoxyribonucleoside 5'-diphosphate |
| dodecanoyl-AMP | a ribonucleoside 5'-phosphate |
| 1',3'-bis-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| 8-oxo-dAMP | a ribonucleoside 5'-diphosphate |
| 8-oxo-dAMP | a nucleoside 5'-phosphate |
| 1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| 3-amino-4-hydroxybenzoate | an aromatic carboxylate |
| S-acylglutathione | an S-substituted glutathione |
| tetradecanoyl-AMP | a ribonucleoside 5'-phosphate |
| tetradecanoyl-AMP | a nucleoside 5'-phosphate |
| alpha-D-mannose 6-phosphate | D-mannose 6-phosphate |
| alpha-D-mannose 6-phosphate | D-hexose 6-phosphate |
| 3-oxotetradecanedioyl-CoA | an acyl-CoA |
| alpha-D-mannose 6-phosphate | D-hexose phosphate |
| 7(1)-hydroxychlorophyll a | a chlorophyll |
| 2-oxo-hept-4-ene-1,7-dioate | oxo dicarboxylic acid |
| a (2E)-enoyl-CoA | a fatty acyl-CoA |
| (2E)-pentadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2E)-pentadecenoyl-CoA | a (2E)-enoyl-CoA |
| (R)-malyl-CoA | a (3R)-3-hydroxyacyl-CoA |
| (R)-malyl-CoA | an acyl-CoA |
| 4-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate | a monocarboxylate |
| 3,8-divinyl chlorophyllide a | a chlorophyll |
| 3,8-divinyl chlorophyllide a | a chlorophyllide |
| (2Z,6E)-farnesyl diphosphate | a polyprenol phosphate |
| 2-hydroxyoctanoyl-CoA | a medium-chain fatty acyl-CoA |
| D-glucose 6-phosphate | D-hexose phosphate |
| 2-hydroxydecanoyl-CoA | a medium-chain fatty acyl-CoA |
| demethylsulochrin | an aromatic carboxylate |
| 2-hydroxy-3-methylbutanoyl-CoA | a short-chain fatty acyl-CoA |
| 2-hydroxyheptadecanoyl-CoA | a long-chain fatty acyl-CoA |
| N-glycoloyl-alpha-neuraminate | an N-acylneuraminate |
| 2-oxohexadecanoate | a fatty acid |
| 2-oxohexadecanoate | a long-chain fatty acid |
| 2-hydroxyeicosanoyl-CoA | a long-chain fatty acyl-CoA |
| chlorophyllide b | a chlorophyll |
| 7(1)-hydroxychlorophyllide a | a chlorophyll |
| 7(1)-hydroxychlorophyllide a | a chlorophyllide |
| dIMP | a nucleoside 5'-phosphate |
| bacteriochlorophyll a | a chlorophyll |
| dIMP | a ribonucleoside 5'-phosphate |
| (2E)-hexacosenoyl-CoA | a very long-chain fatty acyl-CoA |
| 9-ribosyl-trans-zeatin 5'-triphosphate | a nucleoside 5'-phosphate |
| 9-ribosyl-trans-zeatin 5'-triphosphate | a ribonucleoside 5'-triphosphate |
| pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide | a ribonucleoside 5'-phosphate |
| (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA | a long-chain fatty acyl-CoA |
| nerylneryl diphosphate | a polyprenol phosphate |
| nerylneryl diphosphate | geranylgeranyl diphosphate |
| a mannosylinositol phospho-N-acyleicosasphinganine | an inositol-1-phosphoceramide |
| 6-hydroxy-3-isopropenylheptanoate | a medium chain fatty acid |
| 1'-[1,2-diacyl-sn-glycero-3-phospho],3'-[1-acyl-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| di-trans,undeca-cis-tetradecaprenyl diphosphate | a polyprenol phosphate |
| (3R,6R)-6-hydroxy-3-isopropenylheptanoate | a medium chain fatty acid |
| beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| alpha-D-glucosyl di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| inositol-1-phospho-N-acyl-4R-hydroxysphing-8E-enine | inositol-1-phosphophytoceramide |
| (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3S,6R)-6-hydroxy-3-isopropenylheptanoate | a medium chain fatty acid |
| cyclic dehypoxanthinylfutalosinate | an aromatic carboxylate |
| 6-amino-6-deoxyfutalosine | an aromatic carboxylate |
| 3-oxo-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (R)-2-benzylsuccinate | 2-benzylsuccinate |
| tri-trans,hepta-cis-undecaprenyl phosphate | a polyprenol phosphate |
| 3-oxo-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| oxamate | a monoamide of a dicarboxylate |
| CMP-N-glycoloyl-beta-neuraminate | a CMP-N-acyl-beta-neuraminate |
| 3,4-dihydroxy-5-all-trans-polyprenylbenzoate | an aromatic carboxylate |
| sn-glycero-3-phospho-L-serine | a carboxylate |
| (6Z)-hexadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (2E,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | a fatty acyl-CoA |
| (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (13Z)-octadecenoate | a long-chain fatty acid |
| 3-methoxy-5-methyl-1-naphthoate | an aromatic carboxylate |
| 3-oxo-(10Z,13Z,16Z)-docosatrienoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(12Z,15Z,18Z,21Z)-tetracosatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| dATP | a nucleoside 5'-phosphate |
| 2-amino-3-carboxymuconate 6-semialdehyde | oxo dicarboxylic acid |
| 2-amino-3-carboxymuconate 6-semialdehyde | a monocarboxylate |
| dATP | a ribonucleoside 5'-triphosphate |
| dCTP | a nucleoside 5'-phosphate |
| dCTP | a ribonucleoside 5'-triphosphate |
| uridine 2'-phosphate | a nucleoside 2'-phosphate |
| uridine 2'-phosphate | a ribonucleoside 5'-phosphate |
| dUTP | a ribonucleoside 5'-triphosphate |
| protochlorophyllide a | a chlorophyll |
| protochlorophyllide a | a chlorophyllide |
| dUTP | a nucleoside 5'-phosphate |
| 1-heptadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphate | a 1-acyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphate |
| chlorophyllide a | a chlorophyll |
| N-acetyl-demethyl-L-phosphinothricin | a carboxylate |
| N(7)-methyl-GMP | a nucleoside 5'-phosphate |
| N(7)-methyl-GMP | a ribonucleoside 5'-phosphate |
| (2E,6E)-farnesyl triphosphate | a polyprenol phosphate |
| 3-dehydrocarnityl-CoA | an acyl-CoA |
| 2-hydroxy-5-methyl-1-naphthoate | an aromatic carboxylate |
| 4-hydroxybenzoyl-5'-AMP | a nucleoside 5'-phosphate |
| purine residue | a deoxyribonucleotide residue |
| 2-hydroxybenzoyl-5'-AMP | a nucleoside 5'-phosphate |
| 4-hydroxybenzoyl-5'-AMP | a ribonucleoside 5'-phosphate |
| 2-hydroxybenzoyl-5'-AMP | a ribonucleoside 5'-phosphate |
| (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylate | 1-pyrroline-3-hydroxy-5-carboxylate |
| 3,4-dihydroxy-5-all-trans-decaprenylbenzoate | an aromatic carboxylate |
| (R)-lipoyl-5'-AMP | a nucleoside 5'-phosphate |
| (R)-lipoyl-5'-AMP | a ribonucleoside 5'-phosphate |
| 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate | an aromatic carboxylate |
| di-trans,poly-cis-decaprenyl diphosphate | a polyprenol phosphate |
| trans,octa-cis-decaprenylphospho-beta-D-ribofuranose | a polyprenol phosphate |
| TDP | a nucleoside 5'-phosphate |
| TDP | a ribonucleoside 5'-diphosphate |
| (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate | a polyunsaturated dicarboxylic fatty acid |
| (3S)-citramalyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| (2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate | a polyunsaturated dicarboxylic fatty acid |
| (3S)-citramalyl-CoA | an acyl-CoA |
| propanoyl phosphate | an acyl phosphate |
| (3S)-citramalyl-CoA | a fatty acyl-CoA |
| sulfoacetyl-CoA | an acyl-CoA |
| 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) | a phosphatidylglycerol phosphate |
| 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) | a phosphatidylglycerol |
| MurNAc-L-Ala-D-isoglutaminyl-L-Lys-(N(6)-tri-Gly)-D-Ala-D-Ala-diphospho-di-trans,octa-cis-undecaprenyl-GlcNAc | a polyprenol phosphate |
| 5-oxo-L-proline | 5-oxoproline |
| 5-oxo-L-proline | a monocarboxylate |
| (2E,4E)-octadienoyl-CoA | a fatty acyl-CoA |
| N-acetyl-alpha-D-glucosaminyldiphosphodolichol | a polyprenol phosphate |
| (2E,4E)-decadienoyl-CoA | a fatty acyl-CoA |
| phenazine-1-carboxylate | an aromatic carboxylate |
| (3R)-3-amino-3-phenylpropanoyl-CoA | an acyl-CoA |
| thiamine acetate | a monocarboxylate |
| thiamine acetate | a carboxylate |
| 5-methyldeoxycytidine diphosphate | a nucleoside 5'-phosphate |
| 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate | an aromatic carboxylate |
| quinoline-4-carboxylate | an aromatic carboxylate |
| 5-methyldeoxycytidine diphosphate | a ribonucleoside 5'-diphosphate |
| 5-methyldeoxycytidine diphosphate | a 2'-deoxyribonucleoside 5'-diphosphate |
| 4,6-Me(COOH)C-beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| gibberellin A9 | a monocarboxylate |
| 1-diphospho-myo-inositol 2,3,4,5,6-pentakisphosphate | a myo-inositol phosphate |
| gamma-butyrobetainyl-CoA | an acyl-CoA |
| 3,8-divinyl protochlorophyllide a | a chlorophyllide |
| 3,8-divinyl protochlorophyllide a | a carboxylate |
| 3,8-divinyl protochlorophyllide a | a chlorophyll |
| 3,16-dihydroxyhexadecanoate | an omega-hydroxy fatty acid |
| 3,16-dihydroxyhexadecanoate | an omega-hydroxy-long-chain fatty acid |
| alpha-D-galacturonate | a monocarboxylate |
| 3,16-dihydroxyhexadecanoate | 3-hydroxy fatty acid |
| alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate | a polyprenol phosphate |
| alpha-D-galacturonate | D-galacturonate |
| (3Z)-2-oxohex-3-enedioate | oxo dicarboxylic acid |
| O-phospho-D-serine | a carboxylate |
| beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| L-tyrosine-phosphate residue | O(4)-phosphotyrosine residue |
| (25S)-Delta7-dafachronate | a monocarboxylate |
| (25S)-3-oxocholest-4-en-26-oate | a monocarboxylate |
| 1-O-alkyl-2-acyl-sn-glycero-3-phosphate | monoacyl-sn-glycero-3-phosphate |
| O-phospho-L-threonine | a carboxylate |
| 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol) | 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol |
| (25R)-3-oxocholest-4-en-26-oate | a monocarboxylate |
| (25S)-3beta-hydroxy-5-cholestenoate | a monocarboxylate |
| 2-oxoheptanedioate | oxo dicarboxylic acid |
| gibberellin A34 | a monocarboxylate |
| 3-dimethylallyl-4-hydroxybenzoate | an aromatic carboxylate |
| (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3E,5Z)-tetradecadienoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) | 1-acyl-sn-glycero-3-phosphoglycerol |
| 1-tetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) | 1-acyl-sn-glycero-3-phosphoglycerol |
| (2E)-tetracosenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E)-tetracosenoyl-CoA | a fatty acyl-CoA |
| (2S)-methylsuccinyl-CoA | an acyl-CoA |
| gibberellin A4 | a monocarboxylate |
| UDP-N-acetyl-alpha-D-muramoyl-L-alanine | a carboxylate |
| all-trans-tridecaprenyl diphosphate | a polyprenol phosphate |
| (E)-hexadec-2-enoate | hexadecenoate |
| all-trans-dodecaprenyl diphosphate | a polyprenol phosphate |
| 2-deoxy-D-glucose 6-phosphate | D-hexose phosphate |
| 1,2-diacyl-sn-glycero-3-phosphoethanol | a dialkyl phosphate |
| 2-deoxy-D-glucose 6-phosphate | D-hexose 6-phosphate |
| 3-methylhexadecanoyl-CoA | a long-chain fatty acyl-CoA |
| 2-carboxyhexadecanoyl-CoA | an acyl-CoA |
| (2E,6E)-omega-hydroxy-farnesyl diphosphate | a polyprenol phosphate |
| 2-carboxytetradecanoyl-CoA | an acyl-CoA |
| 2-carboxydodecanoyl-CoA | an acyl-CoA |
| 1-heptadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate | a monocarboxylate |
| 1-heptadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate | a carboxylate |
| 1-heptadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate | a fatty acid |
| 1-heptadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate | octadecanoate |
| 5-epi-valiolone 7-phosphate | a phosphate monoester |
| 1,2-hexadecanoyl-sn-glycero-3-phosphoethanol | a dialkyl phosphate |
| (25R)-3beta-hydroxy-5-cholestenoate | a monocarboxylate |
| 1-heptadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate | a long-chain fatty acid |
| D-hexose 6-phosphate | D-hexose phosphate |
| 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate | a monocarboxylate |
| (1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate | a 2-hydroxy carboxylate |
| dTTP(3-) | dTTP |
| dTTP(3-) | a 2'-deoxyribonucleoside 5'-triphosphate |
| dTTP(3-) | a ribonucleoside 5'-triphosphate |
| dTTP(3-) | a nucleoside 5'-phosphate |
| 2-dehydro-3-deoxy-L-rhamnonate | a monocarboxylate |
| dGTP | a nucleoside 5'-phosphate |
| dGTP | a ribonucleoside 5'-triphosphate |
| a (3Z)-enoyl-CoA | a fatty acyl-CoA |
| glutathione S,S-dioxide | an S-substituted glutathione |
| beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| 2-hydroxyglutaryl-CoA | an acyl-CoA |
| GTP | GTP(3-) |
| GTP | a nucleoside 5'-phosphate |
| GDP | a nucleoside 5'-phosphate |
| (5Z,7E,9E,14Z,17Z)-icosapentaenoate | a long-chain fatty acid |
| phthalate | an aromatic carboxylate |
| 2-oxoglutarate | oxo dicarboxylic acid |
| (2S)-2-phospholactate | a carboxylate |
| 20-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) | 1-acyl-sn-glycero-3-phosphoglycerol |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA | a fatty acyl-CoA |
| (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (25R)-3beta,4beta-dihydroxycholest-5-en-26-oate | a monocarboxylate |
| (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (R)-lipoyl-GMP | a nucleoside 5'-phosphate |
| (3R)-hydroxy-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (R)-lipoyl-GMP | a ribonucleoside 5'-phosphate |
| (3S)-hydroxy-(5Z-tetradecenoyl)-CoA | a (3R)-3-hydroxyacyl-CoA |
| (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA | a fatty acyl-CoA |
| (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA | a fatty acyl-CoA |
| (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| platensimycin | an aromatic carboxylate |
| (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA | a fatty acyl-CoA |
| platencin | an aromatic carboxylate |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2R,3S)-beta-methylmalyl-CoA | an acyl-CoA |
| citramalate | a 2-hydroxydicarboxylate |
| 2-methylfumaryl-CoA | an acyl-CoA |
| 18-hydroxy-(9Z)-octadecenoate | a long-chain fatty acid |
| 6-oxocyclohex-1-ene-1-carbonyl-CoA | a fatty acyl-CoA |
| 6-oxocyclohex-1-ene-1-carbonyl-CoA | a 3-oxo-fatty acyl-CoA |
| 20-hydroxy-lipoxin A4 | a long-chain fatty acid |
| 20-hydroxy-lipoxin A4 | a hydroxy polyunsaturated fatty acid |
| cytidine 2'-phosphate | a ribonucleoside 5'-phosphate |
| cytidine 2'-phosphate | a nucleoside 2'-phosphate |
| 4-hydroxy-3-all-trans-hexaprenylbenzoate | an aromatic carboxylate |
| 20-hydroxy-lipoxin B4 | a hydroxy polyunsaturated fatty acid |
| 20-hydroxy-lipoxin B4 | a long-chain fatty acid |
| avenanthramide B | an aromatic carboxylate |
| 10-hydroxy-(11S,12S)-epoxy- (5Z,8Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 20-hydroxy-6-trans-leukotriene B4 | a long-chain fatty acid |
| 20-hydroxy-6-trans-leukotriene B4 | a hydroxy polyunsaturated fatty acid |
| 3-acetyl-3-devinylchlorophyllide a | a chlorophyll |
| 3-acetyl-3-devinylchlorophyllide a | a chlorophyllide |
| (2S)-2-methyltetradecanoyl-CoA | a (2R)-2-methylacyl-CoA |
| (18R)-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| (3E)-2-oxohex-3-enedioate | oxo dicarboxylic acid |
| 4-hydroxy-3-all-trans-octaprenylbenzoate | an aromatic carboxylate |
| 1-palmitoylglycerol 3-phosphate | 1-acylglycero-3-phosphate |
| L-threonyl-5'-AMP | a nucleoside 5'-phosphate |
| L-threonyl-5'-AMP | a ribonucleoside 5'-phosphate |
| N(alpha)-acetyl-D-methionine | an N-acyl-D-amino acid |
| N(alpha)-acetyl-D-methionine | an N-acetyl-D-amino acid |
| 3-methoxybenzoate | an aromatic carboxylate |
| TTP | a nucleoside 5'-phosphate |
| TTP | a ribonucleoside 5'-triphosphate |
| 1D-myo-inositol 3,4-bisphosphate | a myo-inositol phosphate |
| 18-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| (3R)-hydroxy-(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| oxomalonate | oxo dicarboxylic acid |
| (3R)-hydroxy-(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (8Z,11Z,14Z)-3-oxoeicosatrienoyl-CoA | a long-chain fatty acyl-CoA |
| (8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA | a fatty acyl-CoA |
| (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxy-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 6-hydroxy-FAD | an oxidized flavin |
| 3-oxooctacosanyol-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxooctacosanyol-CoA | a very long-chain fatty acyl-CoA |
| beta-D-Gal-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (3R)-hydroxy-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | a fatty acyl-CoA |
| (3R)-hydroxy-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| beta-D-Gal-(1->4)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| beta-D-Glc-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (11Z)-3-oxoicosenoyl-CoA | a long-chain fatty acyl-CoA |
| alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (3R)-hydroxy-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | a fatty acyl-CoA |
| (9Z)-heptadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-O-methylphospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenol | a polyprenol phosphate |
| 3-O-phospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenol | a polyprenol phosphate |
| 3-oxo-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| ATP | ATP(3-) |
| ATP | a nucleoside 5'-phosphate |
| alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenol | a polyprenol phosphate |
| (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA | a long-chain fatty acyl-CoA |
| N-acetyl-L-glutamate 5-semialdehyde | a monocarboxylate |
| pentadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (3beta)-hydroxy-cholest-5-en-26-oate | a monocarboxylate |
| ATP | a nucleoside 5'-phosphate |
| ATP | ATP(3-) |
| (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-decaprenyl diphosphate | a polyprenol phosphate |
| 3-oxo-(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| isophthalate | an aromatic carboxylate |
| 2'-phospho-cyclic ADP-ribose | kaempferol 7-O-beta-D-glucoside |
| alpha-D-ribose 5-triphosphate | D-ribose 5-triphosphate |
| 3,12-dihydroxydodecanoate | 3-hydroxy fatty acid |
| 12-methyloctadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2E)-tetradecenedioyl-CoA | an acyl-CoA |
| thymidine 3'-monophosphate | a ribonucleoside 5'-phosphate |
| thymidine 3'-monophosphate | a nucleoside 3'-phosphate |
| 2-methylhexadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 3-oxohexadecanedioyl-CoA | an acyl-CoA |
| 12-methyltridecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2R)-pristanoyl-CoA | a long-chain fatty acyl-CoA |
| (2R)-pristanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 12-phosphooxy-(9Z)-octadecenoate | a carboxylate |
| (2R)-pristanoyl-CoA | pristanoyl-CoA |
| 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate | a myo-inositol phosphate |
| 8-oxo-dGDP | a nucleoside 5'-phosphate |
| 8-oxo-dGDP | a ribonucleoside 5'-diphosphate |
| 8-oxo-dGDP | a 2'-deoxyribonucleoside 5'-diphosphate |
| 1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphate | monoacyl-sn-glycero-3-phosphate |
| 15-oxo-(5S,6R)-dihydroxy-(7E,9E,11Z,13E)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| N(3)-fumaroyl-(S)-2,3-diaminopropanoate | a monoamide of a dicarboxylate |
| (10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 15-methylhexadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2E)-hexadecenedioyl-CoA | an acyl-CoA |
| tetradecanedioyl-CoA | an acyl-CoA |
| isoheptadecanoyl-coA | an 11,12-saturated fatty acyl-CoA |
| hexadecanedioyl-CoA | an acyl-CoA |
| (2E)-13-methyltetradecenoyl-CoA | a fatty acyl-CoA |
| (2E)-13-methyltetradecenoyl-CoA | a long-chain fatty acyl-CoA |
| (2E)-13-methyltetradecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositol | 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol) |
| (R)-2-hydroxy-4-methylpentanoyl-CoA | a short-chain fatty acyl-CoA |
| 4-methylpent-2-enoyl-CoA | a short-chain fatty acyl-CoA |
| 4-methylpent-2-enoyl-CoA | a 2,3-dehydroacyl-CoA |
| (8Z,11Z,14Z,17Z)-3-oxoicosatetraenoyl-CoA | a long-chain fatty acyl-CoA |
| (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| prenyl-FMNH2 | a nucleoside 5'-phosphate |
| prenyl-FMNH2 | an oxidized flavin |
| 3-hydroxyisoheptadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| prenyl-FMNH2 | a ribonucleoside 5'-phosphate |
| (2E)-15-methylhexadecenoyl-CoA | a long-chain fatty acyl-CoA |
| (2E)-15-methylhexadecenoyl-CoA | a fatty acyl-CoA |
| (2E)-15-methylhexadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 1',3'-bis-[1-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| pristanoyl-CoA | a long-chain fatty acyl-CoA |
| pristanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (4S)-4-hydroxy-2-oxoheptanedioate | oxo dicarboxylic acid |
| 2-hydroxyhexadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2S)-2-methylbutanoyl-CoA | a (2S)-2-methylacyl-CoA |
| (13Z)-docosenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (13Z)-3-oxodocosenoyl-CoA | a long-chain fatty acyl-CoA |
| 1',3'-bis[1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| dTMP | a nucleoside 5'-phosphate |
| dTMP | a ribonucleoside 5'-phosphate |
| 2-hydroxydocosanoyl-CoA | a long-chain fatty acyl-CoA |
| (15Z)-3-oxotetracosenoyl-CoA | a very long-chain fatty acyl-CoA |
| 20-oxo-leukotriene B4 | a long-chain fatty acid |
| 19-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| a 2'-deoxyribonucleoside 5'-phosphate | a nucleoside 5'-phosphate |
| a 2'-deoxyribonucleoside 5'-phosphate | a ribonucleoside 5'-phosphate |
| alpha-D-galactose 1-phosphate | alpha-D-hexose 1-phosphate |
| (2S)-pristanoyl-CoA | pristanoyl-CoA |
| (2S)-pristanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| terephthalate | an aromatic carboxylate |
| (2S)-pristanoyl-CoA | a long-chain fatty acyl-CoA |
| 2-carboxyhexacosanoyl-CoA | an acyl-CoA |
| hexadecanoyl-AMP | a ribonucleoside 5'-phosphate |
| hexadecanoyl-AMP | a nucleoside 5'-phosphate |
| (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA | a fatty acyl-CoA |
| 4-hydroxy-3-all-trans-heptaprenylbenzoate | an aromatic carboxylate |
| 4-hydroxy-3-all-trans-nonaprenylbenzoate | an aromatic carboxylate |
| 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) | 1-acyl-sn-glycero-3-phosphoglycerol |
| kynurenate | an aromatic carboxylate |
| divinyl chlorophyll a | a chlorophyll |
| bilirubin-bisglucuronoside | a monocarboxylate |
| divinyl chlorophyll b | a chlorophyll |
| (S)-4-hydroxy-2-oxopentanoate | a 2-oxocarboxylate |
| 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucosiduronate | steroid glucuronate |
| 2-hydroxytetracosanoyl-CoA | a very long-chain fatty acyl-CoA |
| (4Z)-2-oxohept-4-enedioate | oxo dicarboxylic acid |
| 3-oxo-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E)-geranyl phosphate | a polyprenol phosphate |
| 3-oxo-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 4-hydroxy-2-oxoglutarate | oxo dicarboxylic acid |
| (S)-3-hydroxy-2-methylpropanoate | 3-hydroxy-2-methylpropanoate |
| 3-oxo-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,6E)-farnesyl phosphate | a polyprenol phosphate |
| N-succinyl-L-glutamate | an N-acyl-L-amino acid |
| all-trans-nonaprenyl diphosphate | a polyprenol phosphate |
| N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-(octadecanoyl)-sphing-4-enine | ganglioside GD3 |
| triphosphate(4-) | triphosphate |
| triphosphate | triphosphate(4-) |
| 1-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate | a 1,2-diacyl-sn-glycero-3-phosphate |
| 1-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate | a 1,2-diacylglycero-3-phosphate |
| (R)-2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoate | a monocarboxylate |
| (R)-2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoate | 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoate |
| 3-ADP-2-phosphoglycerate | 3-ADP-glycerate |
| 4alpha-carboxy-4beta-methyl-5alpha-cholest-7-ene-3beta-ol | a monocarboxylate |
| alpha-D-glucose 1,6-bisphosphate | D-glucose 1,6-bisphosphate |
| 3,4-dihydroxy-5-all-trans-octaprenylbenzoate | an aromatic carboxylate |
| 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate | an aromatic carboxylate |
| 2-hydroxy-3-methylhexadecanoyl-CoA | a 2-hydroxy-3-methyl fatty acyl-CoA |
| 1D-myo-inositol 1,3,4-trisphosphate | a myo-inositol phosphate |
| cis-3,4-dehydroadipyl-CoA | an acyl-CoA |
| cis-3,4-dehydroadipyl-CoA | a (3Z)-enoyl-CoA |
| di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| 3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate | an aromatic carboxylate |
| cis-3,4-dehydroadipyl-CoA | a fatty acyl-CoA |
| (3Z)-6-oxohex-3-enoyl-CoA | a (3Z)-enoyl-CoA |
| 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate | an aromatic carboxylate |
| (3Z)-6-oxohex-3-enoyl-CoA | a fatty acyl-CoA |
| beta-D-mannosyl-(1->4)-N,N'-diacetylchitobiosyldiphosphodolichol | dolichyl diphosphooligosaccharide |
| beta-D-mannosyl-(1->4)-N,N'-diacetylchitobiosyldiphosphodolichol | a polyprenol phosphate |
| (2S)-2-acetolactate | a 3-oxo acid |
| 4-(gamma-L-glutamylamino)butanoate | a monocarboxylate |
| (2S)-2-acetolactate | 2-acetolactate |
| 3-hydroxy-2,4-dioxopentyl phosphate | a phosphate monoester |
| dCDP | a ribonucleoside 5'-diphosphate |
| dCDP | a nucleoside 5'-phosphate |
| 2-epi-5-epi-valiolone 7-phosphate | a phosphate monoester |
| CDP | a nucleoside 5'-phosphate |
| (E)-4-coumaroyl-CoA | a fatty acyl-CoA |
| prenyl-FMN | a ribonucleoside 5'-phosphate |
| prenyl-FMN | an oxidized flavin |
| prenyl-FMN | a nucleoside 5'-phosphate |
| (25R)-3beta-hydroxycholest-5-en-7-one-26-oate | a monocarboxylate |
| Man-beta1-6-Ins-1-P-Cer(d18:0/24:0) | a mannosyl-alpha-1->6-inositol phospho-N-acylsphinganine |
| (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 4-carboxyzymosterol | a monocarboxylate |
| Man-beta1-6-Ins-1-P-Cer(d18:0/24:0) | an inositol-1-phosphoceramide |
| (2S)-2-hydroxyphytanate | a 2-hydroxy fatty acid |
| docosanoyl-CoA | a very long-chain fatty acyl-CoA |
| trans,octa-cis-decaprenylphospho-beta-D-arabinofuranose | a polyprenol phosphate |
| trans,octa-cis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose | a polyprenol phosphate |
| N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octa-cis-decaprenol | a polyprenol phosphate |
| trans,octa-cis-decaprenyl phosphate | a polyprenol phosphate |
| a mannosylinositol-1-phospho-N-acyl-sphingoid base | an inositol-1-phosphoceramide |
| kaempferol 7-O-beta-D-glucoside | 2'-phospho-cyclic ADP-ribose |
| 2-methyl-(2E)-pentadecenoyl-CoA | a (2E)-enoyl-CoA |
| Delta(1)-pyrroline-(4S)-hydroxy-2-carboxylate | 4-hydroxy-1-pyrroline-2-carboxylate |
| 1-O-(alk-1-enyl)-sn-glycero-3-phosphate | 1-O-alkyl-sn-glycero-3-phosphate |
| 4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate | a carboxylate |
| 4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate | a monocarboxylate |
| a bacteriochlorophyllide c | a chlorophyll |
| a bacteriochlorophyllide c | a chlorophyllide |
| 3'-CMP | a ribonucleoside 5'-phosphate |
| 4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate | a phosphate monoester |
| 3'-CMP | a ribonucleoside 3'-phosphate |
| ganglioside GM1 (d18:1(4E)/18:0) | ganglioside GM1 (d18:1(4E)) |
| (2E)-pristenoyl-CoA | a long-chain fatty acyl-CoA |
| (2E)-pristenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2E)-pristenoyl-CoA | a (2E)-enoyl-CoA |
| 4-methyl-3-oxopentanoate | a fatty acid |
| 4-methyl-3-oxopentanoate | a 3-oxo fatty acid |
| 4-methyl-3-oxopentanoate | a 3-oxo acid |
| N(6)-(dimethylallyl)adenosine 5'-diphosphate | a nucleoside 5'-phosphate |
| an all-trans-polyprenyl diphosphate | a polyprenol phosphate |
| triphosphate | triphosphate(4-) |
| triphosphate | triphosphate(4-) |
| N(6)-(dimethylallyl)adenosine 5'-triphosphate | a nucleoside 5'-phosphate |
| N(6)-(dimethylallyl)adenosine 5'-triphosphate | a ribonucleoside 5'-triphosphate |
| 9-ribosyl-trans-zeatin 5'-diphosphate | a ribonucleoside 5'-diphosphate |
| 9-ribosyl-trans-zeatin 5'-diphosphate | a nucleoside 5'-phosphate |
| (4S)-4-hydroxy-L-glutamate | 4-hydroxy-L-glutamate |
| (2S)-versicolorone | versicolorone |
| (2R,3S)-3-methylmalate | 3-methylmalate |
| (3S)-hydroxyhexanoyl-CoA | a fatty acyl-CoA |
| MurNAc-L-Ala-D-isoglutaminyl-L-Lys-(N(6)-penta-Gly)-D-Ala-D-Ala-diphospho-di-trans,octa-cis-undecaprenyl-GlcNAc | a polyprenol phosphate |
| 5-methyl-dCTP | a ribonucleoside 5'-triphosphate |
| 5-methyl-dCTP | a 2'-deoxyribonucleoside 5'-triphosphate |
| 5-methyl-dCTP | a nucleoside 5'-phosphate |
| biotinyl-5'-AMP | a nucleoside 5'-phosphate |
| carbamoyl adenylate | a ribonucleoside 5'-phosphate |
| carbamoyl adenylate | a nucleoside 5'-phosphate |
| biotinyl-5'-AMP | a ribonucleoside 5'-phosphate |
| octacosanoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| octacosanoyl-CoA | a very long-chain fatty acyl-CoA |
| 2-amino-4,5-dihydroxy-6-oxo-7-(phosphooxy)heptanoate | a carboxylate |
| N-acetyl-alpha-D-galactosaminyl-di-trans,octa-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| 2-amino-4,5-dihydroxy-6-oxo-7-(phosphooxy)heptanoate | a monocarboxylate |
| (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxohexacosanoyl-CoA | a very long-chain fatty acyl-CoA |
| 4-deoxy-4-formamido-alpha-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate | a polyprenol phosphate |
| 3-oxo-(13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E)-octadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| heptadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 3-hydroxyoctadecanoyl-CoA | a long-chain fatty acyl-CoA |
| 3-oxo-(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-hydroxydocosanoyl-CoA | a long-chain fatty acyl-CoA |
| (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-geranyl-4-hydroxybenzoate | an aromatic carboxylate |
| Mo(V)-molybdopterin cytosine dinucleotide | molybdopterin cytosine dinucleotide |
| 3-oxo-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| pyrimidine residue | a deoxyribonucleotide residue |
| dinoflagellate luciferin | a carboxylate |
| dinoflagellate luciferin | oxo dicarboxylic acid |
| (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| oxidized dinoflagellate luciferin | oxo dicarboxylic acid |
| 4-hydroxy-2-oxoheptanedioate | oxo dicarboxylic acid |
| D-mannosyl di-trans,octa-cis-undecaprenyl phosphate | a polyprenol phosphate |
| 2-oxo-dATP | a nucleoside 5'-phosphate |
| 2-oxo-dATP | a 2'-deoxyribonucleoside 5'-triphosphate |
| 2-oxo-dATP | a ribonucleoside 5'-triphosphate |
| 8-oxo-dGTP | a ribonucleoside 5'-triphosphate |
| 8-oxo-dGTP | a 2'-deoxyribonucleoside 5'-triphosphate |
| 8-oxo-dGTP | a nucleoside 5'-phosphate |
| 1D-myo-inositol 3,5-bisphosphate | a myo-inositol phosphate |
| (2E)-octenedioyl-CoA | an acyl-CoA |
| octanedioyl-CoA | an acyl-CoA |
| 26-oxohexacosanoate | a very long-chain fatty acid |
| (3S)-hydroxyoctanedioyl-CoA | an acyl-CoA |
| (3S)-hydroxyoctanedioyl-CoA | a (3S)-3-hydroxyacyl-CoA |
| 15-oxo-(5S,6R)-dihydroxy-(7E,9E,11Z)-eicosatrienoate | a hydroxy polyunsaturated fatty acid |
| 3-oxooctanedioyl-CoA | an acyl-CoA |
| 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA | a long-chain fatty acyl-CoA |
| (3S)-hydroxydecanedioyl-CoA | an acyl-CoA |
| 3-oxodecanedioyl-CoA | an acyl-CoA |
| 3-oxododecanedioyl-CoA | an acyl-CoA |
| (3S)-hydroxydecanedioyl-CoA | a (3S)-3-hydroxyacyl-CoA |
| [alpha-D-GalNAc-(1->4)]4-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tri-trans,hepta-cis-undecaprenyl diphosphate | a polyprenol phosphate |
| (cis-polyprenyl)n diphosphate | a polyprenol phosphate |
| polyprenylphosphate-D-glucose | a polyprenol phosphate |
| (S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-deacetyl-3-vinylbacteriochlorophyllide a | a chlorophyll |
| 3-deacetyl-3-vinylbacteriochlorophyllide a | a chlorophyllide |
| (3R)-hydroxyoctadecanoyl-CoA | a long-chain fatty acyl-CoA |
| (3R)-hydroxydocosanoyl-CoA | a long-chain fatty acyl-CoA |
| 3-oxocholest-4-en-26-oate | a monocarboxylate |
| (3R)-hydroxytetracosanoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxytriacontanoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxytriacontanoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (3R)-hydroxyhexacosanoyl-CoA | a very long-chain fatty acyl-CoA |
| 2,7-dihydroxy-5-methyl-1-naphthoate | an aromatic carboxylate |
| 5,10-dihydro-9-dimethylallylphenazine 1-carboxylate | an aromatic carboxylate |
| (2E)-triacontenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (2E)-triacontenoyl-CoA | a fatty acyl-CoA |
| (2E)-triacontenoyl-CoA | a very long-chain fatty acyl-CoA |
| octyl sulfate | an alkyl sulfate |
| (3R)-hydroxy-(13Z)-docosenoyl-CoA | a long-chain fatty acyl-CoA |
| (2E,13Z)-docosadienoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (3R)-hydroxy-(15Z)-tetracosenoyl-CoA | a very long-chain fatty acyl-CoA |
| decyl sulfate | an alkyl sulfate |
| 1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| 1'-[1-(9Z,12Z-octadecadienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol | a phosphatidylglycerol |
| 1-O-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphate | monoacyl-sn-glycero-3-phosphate |
| (3S)-hydroxyoctadecanoyl-CoA | 3-hydroxyoctadecanoyl-CoA |
| (3S)-hydroxyoctadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2S)-hydroxybutanoate | a (2S)-2-hydroxycarboxylate |
| 3-oxotetracosanoyl-CoA | a very long-chain fatty acyl-CoA |
| (3R)-hydroxy-(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| UDP-beta-L-arabinopyranose | UDP-L-arabinose |
| (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA | a fatty acyl-CoA |
| 3-oxo-(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a | a chlorophyll |
| di-trans-octa-cis-undecaprenyl diphospho-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine | a polyprenol phosphate |
| 3-deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a | a chlorophyllide |
| 3-devinyl-3-(1-hydroxyethyl)chlorophyllide a | a chlorophyll |
| 3-devinyl-3-(1-hydroxyethyl)chlorophyllide a | a chlorophyllide |
| 8-ethyl-12-methyl-3-vinylbacteriochlorophyllide d | a chlorophyllide |
| 8-ethyl-12-methyl-3-vinylbacteriochlorophyllide d | a chlorophyll |
| (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| soyasapogenol B 3-O-beta-D-glucuronate | a beta-D-glucuronoside |
| soyasapogenol E 3-O-beta-D-glucuronate | a beta-D-glucuronoside |
| soyasapogenol A 3-O-beta-D-glucuronate | a beta-D-glucuronoside |
| 3-oxochola-4,6-dien-24-oate | a monocarboxylate |
| 2-dehydro-3-deoxy-L-galactonate | a monocarboxylate |
| 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate | an aromatic carboxylate |
| 8-hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoate | a hydroxy polyunsaturated fatty acid |
| (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA | a long-chain fatty acyl-CoA |
| 4-hydroxy-3-all-trans-decaprenylbenzoate | an aromatic carboxylate |
| (5Z)-tetradecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 2-oxo-AMP | a ribonucleoside 5'-phosphate |
| 2-oxo-AMP | a nucleoside 5'-phosphate |
| (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-methoxy,4-hydroxy-5-all-trans-polyprenylbenzoate | an aromatic carboxylate |
| 3-oxo-(21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| a (2E,4E)-dienoyl-CoA | a fatty acyl-CoA |
| (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| (15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 1-O-(9Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate | monoacyl-sn-glycero-3-phosphate |
| N,1,2-tri-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine | N-(9Z-octadecenoyl)-1,2-diacyl-sn-glycero-3-phosphoethanolamine |
| 3-oxo-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (6Z,9Z,12Z)-octadecatrienoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate | a long-chain fatty acid |
| (6Z,9Z,12Z)-octadecatrienoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate | a monocarboxylate |
| (6Z,9Z,12Z)-octadecatrienoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate | a carboxylate |
| (6Z,9Z,12Z)-octadecatrienoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate | a fatty acid |
| (6Z,9Z,12Z)-octadecatrienoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate | (9Z)-octadecenoate |
| (2R)-ethylmalonyl-CoA | an acyl-CoA |
| guanosine 2'-monophosphate | a ribonucleoside 5'-phosphate |
| guanosine 2'-monophosphate | a nucleoside 2'-phosphate |
| (2E)-eicosenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (2E)-docosenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (3Z)-hexenoyl-CoA | a (3Z)-enoyl-CoA |
| N,N,N-trimethylglycyl-CoA | an acyl-CoA |
| nonadecanoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| (6Z)-octadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) | 1-acyl-sn-glycero-3-phosphoglycerol |
| (8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoate | a fatty acid |
| phytyl phosphate | a polyprenol phosphate |
| phytyl diphosphate | a polyprenol phosphate |
| 3-methylfumaryl-CoA | an acyl-CoA |
| (3R)-citramalyl-CoA | an acyl-CoA |
| 2-amino-2-deoxy-D-gluconate 6-phosphate | a monocarboxylate |
| (3R)-citramalyl-CoA | a fatty acyl-CoA |
| (3R)-citramalyl-CoA | a 3-hydroxy-fatty acyl-CoA |
| 2-amino-2-deoxy-D-gluconate 6-phosphate | a carboxylate |
| (S)-2-hydroxyhexadecanoate | a (2S)-2-hydroxycarboxylate |
| (2E)-nonenoyl-CoA | a fatty acyl-CoA |
| dodecanedioyl-CoA | an acyl-CoA |
| (2E)-decenedioyl-CoA | an acyl-CoA |
| (2E)-dodecenedioyl-CoA | an acyl-CoA |
| 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| phosphinomethylmalate | a 2-hydroxydicarboxylate |
| bacteriochlorophyllide a | a chlorophyll |
| bacteriochlorophyllide a | a chlorophyllide |
| resolvin E1 | a hydroxy polyunsaturated fatty acid |
| 2-ethylhexyl sulfate | an alkyl sulfate |
| (20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| a bacteriochlorophyllide d | a chlorophyllide |
| a bacteriochlorophyllide d | a chlorophyll |
| 9-ribosyl-trans-zeatin 5'-phosphate | a nucleoside 5'-phosphate |
| (3R)-hydroxyhexadecanoyl-CoA | a long-chain fatty acyl-CoA |
| (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA | a very long-chain fatty acyl-CoA |
| 9-ribosyl-trans-zeatin 5'-phosphate | a ribonucleoside 5'-phosphate |
| (9Z)-pentadecenoyl-CoA | an 11,12-saturated fatty acyl-CoA |
| decanedioyl-CoA | an acyl-CoA |
| (3S)-hydroxydodecanedioyl-CoA | an acyl-CoA |
| (3S)-hydroxydodecanedioyl-CoA | a (3S)-3-hydroxyacyl-CoA |
| (Z,Z)-dicyclopropyl-alpha-mycolate | a monocarboxylate |
| (Z,Z)-dicyclopropyl-alpha-mycolate | a carboxylate |
| (Z,Z)-dicyclopropyl-alpha-mycolate | a fatty acid |
| 2''-O-succinyl-ADP-D-ribose | a carboxylate |
| (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | a very long-chain fatty acyl-CoA |
| (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| 2-methylhexanoyl-CoA | a medium-chain fatty acyl-CoA |
| (2E)-tricosenoyl-CoA | a 2,3-dehydroacyl-CoA |
| (2E)-tricosenoyl-CoA | an ultra-long-chain fatty acyl-CoA |
| benzydamine | a tertiary amine |
| (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine | a tertiary amine |
| (3R)-3-hydroxy-2,3-dihydrotabersonine | a tertiary amine |
| (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine | a tertiary amine |
| (S)-codamine | a tertiary amine |
| vincristine | a tertiary amine |
| (+)-minovincinine | a tertiary amine |
| 19-O-acetylhorhammericine | a tertiary amine |
| lipid IIA | a phospholipid derivative |
| 3-tyramine | a primary amine |
| 5-hydroxykynurenamine | a primary amine |
| NH3 | NH4(+) |
| 16-methoxytabersonine | a tertiary amine |
| ecgonone methyl ester | a tertiary amine |
| paromamine | a primary amine |
| 3'-N-debenzoyl-2'-deoxytaxol | a primary amine |
| caldopentamine | a primary amine |
| amodiaquine | a tertiary amine |
| gramine | a tertiary amine |
| cocaine | a tertiary amine |
| lupanine | a tertiary amine |
| N-acetylcadaverine | a primary amine |
| tert-butylamine | a primary amine |
| 2-arylethylamine | a primary amine |
| tert-butylamine | an aliphatic amine |
| vindoline | a tertiary amine |
| morphine | a tertiary amine |
| (S)-nicotine | a tertiary amine |
| norajmaline | a tertiary amine |
| (S)-1-phenylethylamine | a primary amine |
| (R)-1-phenylethylamine | a primary amine |
| cyclohexylamine | a primary amine |
| ethylamine | a primary amine |
| agmatine | a primary amine |
| N-acetylputrescine | a primary amine |
| D-cycloserine | a primary amine |
| N-terminal L-cysteine residue | N-terminal L-alpha-amino-acid residue |
| cyclohexylamine | an aliphatic amine |
| ethylamine | an aliphatic amine |
| oxidized Cypridina luciferin | Cypridina luciferin |
| N-acetylputrescine | an N-monoacetylalkane-alpha,omega-diamine |
| L-hyoscyamine | atropine |
| an aryl methylamine | an arylalkylamine |
| NH4(+) | NH3 |
| 1-(9Z)-octadecenylglycerone 3-phosphate | a phospholipid derivative |
| N(alpha)-acetyl-L-lysine methyl ester | a primary amine |
| 6'-oxoparomamine | a primary amine |
| threo-3-methyl-L-aspartic acid | (2S,3S)-3-methyl-L-aspartate |
| 4-methylene-L-glutamic acid | 4-methylene-L-glutamate |
| (2Z,4Z)-2-amino-3-carboxymuconate 6-semialdehyde | 2-amino-3-carboxymuconate 6-semialdehyde |
| N(alpha)-acetyl-L-lysine methyl ester | an alpha-amino acid ester |
| (2R,4S)-2,4-diaminopentanoate | 2,4-diaminopentanoate |
| 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine | a tertiary amine |
| 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol | a tertiary amine |
| (-)-echitovenine | a tertiary amine |
| benzylamine | an arylalkylamine |
| 4-hydroxytryptamine | a primary amine |
| benzylamine | a primary amine |
| an N-monoacetylalkane-alpha,omega-diamine | a primary amine |
| L-tyrosyl group | N-terminal L-alpha-amino-acid residue |
| N-(3-aminopropyl)-4-aminobutanal | a secondary amine |
| NH4(+) | NH3 |
| N-(3-aminopropyl)-4-aminobutanal | a secondary aliphatic amine |
| L-homoserine lactone | a primary amine |
| N-(3-aminopropyl)-4-aminobutanal | a primary amine |
| (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol | a primary amine |
| 3'-N-debenzoyltaxol | a primary amine |
| 3-amino-2,3-dideoxy-scyllo-inosose | a primary amine |
| NH3 | NH4(+) |
| N-(3-aminopropyl)-4-aminobutanal | an aliphatic amine |
| (S)-glaucine | a tertiary amine |
| horhammericine | a tertiary amine |
| ecgonine methyl ester | a tertiary amine |
| (R)-nicotine | a tertiary amine |
| L-prolyl group | N-terminal L-alpha-amino-acid residue |
| L-lysyl group | N-terminal L-alpha-amino-acid residue |
| L-homoserine lactone | homoserine lactone |
| benzylamine | an aralkylamine |
| (2R,4S)-2,4-diaminopentanoate | 2,4-diaminopentanoate |
| 2-oxosuccinamic acid | 2-oxo acid |
| (10bR,4aS)-noroxomaritidine | a tertiary amine |
| (10bS,4aR)-noroxomaritidine | a tertiary amine |
| (R)-N-methyltetrahydropapaverine | a tertiary amine |
| catharanthine | a tertiary amine |
| akuammicine | a tertiary amine |
| (-)-vincadifformine | a tertiary amine |
| (-)-minovincinine | a tertiary amine |
| (-)-voacangine | a tertiary amine |
| (6S)-6-hydroxyhyoscyamine | a tertiary amine |
| trimethylamine | a tertiary amine |
| 17-O-acetylnorajmaline | a tertiary amine |
| an aralkylamine | an arylalkylamine |
| 2-phenylethylamine | an arylalkylamine |
| N-demethylindolmycin | a primary amine |
| 5-amino-1-(beta-D-ribosyl)imidazole | a primary amine |
| (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol | a primary amine |
| isopropylamine | a primary amine |
| tyramine | a primary amine |
| 3-(methylsulfanyl)propanamine | a primary amine |
| homoserine lactone | a primary amine |
| methylamine | a primary amine |
| 2-phenylethylamine | a primary amine |
| serotonin | a primary amine |
| N(tau)-methylhistamine | a primary amine |
| isopropylamine | an aliphatic amine |
| methylamine | an aliphatic amine |
| an arylalkylamine | an aralkylamine |
| 2-phenylethylamine | an aralkylamine |
| (2S,3S)-3-methyl-L-aspartate | threo-3-methyl-L-aspartic acid |
| 4-methylene-L-glutamate | 4-methylene-L-glutamic acid |
| (R)-synephrine | synephrine |
| gentamicin C1a | gentamicin C |
| N(5)-acyl-L-ornithine ester | an alpha-amino acid ester |
For the full report see:
https://github.com/chemkg/chemrof/blob/master/chebi-scratch/conjugate-ph7-3-incomplete.tsv
btw, kudos to @balhoff and his awesome ubergraph https://github.com/INCATools/ubergraph which made this report much easier!
this is the query I used - autogenerated so it's a bit ugly:
SELECT ?v0 ?v1 ?v2 ?v3 ?v4 ?v5 WHERE {
GRAPH <http://reasoner.renci.org/nonredundant> {
?v2 <http://purl.obolibrary.org/obo/chebi#is_conjugate_base_of>+ ?v3} .
?v6 <http://www.w3.org/2002/07/owl#annotatedSource> ?v2 .
?v6 <http://www.w3.org/2002/07/owl#annotatedProperty> ?v7 .
?v6 <http://www.w3.org/2002/07/owl#annotatedTarget> ?v0 .
?v6 <http://www.geneontology.org/formats/oboInOwl#hasDbXref> ?v8 .
?v6 <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://www.w3.org/2002/07/owl#Axiom> .
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> != <http://www.w3.org/2002/07/owl#annotatedProperty>) .
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> != <http://www.w3.org/2002/07/owl#annotatedSource>) .
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> != <http://www.w3.org/2002/07/owl#annotatedTarget>) .
FILTER NOT EXISTS {
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> = <http://www.w3.org/1999/02/22-rdf-syntax-ns#type>) .
FILTER (?v8 = <http://www.w3.org/2002/07/owl#Axiom>)} .
FILTER (STR(?v8) = "UniProt") .
?v3 <http://www.w3.org/2000/01/rdf-schema#subClassOf> ?v5 .
GRAPH <http://reasoner.renci.org/nonredundant> {
?v4 <http://purl.obolibrary.org/obo/chebi#is_conjugate_base_of>+ ?v5} .
?v9 <http://www.w3.org/2002/07/owl#annotatedSource> ?v4 .
?v9 <http://www.w3.org/2002/07/owl#annotatedProperty> ?v10 .
?v9 <http://www.w3.org/2002/07/owl#annotatedTarget> ?v1 .
?v9 <http://www.geneontology.org/formats/oboInOwl#hasDbXref> ?v11 .
?v9 <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://www.w3.org/2002/07/owl#Axiom> .
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> != <http://www.w3.org/2002/07/owl#annotatedProperty>) .
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> != <http://www.w3.org/2002/07/owl#annotatedSource>) .
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> != <http://www.w3.org/2002/07/owl#annotatedTarget>) .
FILTER NOT EXISTS {
FILTER (<http://www.geneontology.org/formats/oboInOwl#hasDbXref> = <http://www.w3.org/1999/02/22-rdf-syntax-ns#type>) .
FILTER (?v11 = <http://www.w3.org/2002/07/owl#Axiom>)} .
FILTER (STR(?v11) = "UniProt") .
FILTER NOT EXISTS {
?v2 <http://www.w3.org/2000/01/rdf-schema#subClassOf> ?v4}}
Hi @cmungall! May I ask a naive question? Why don't you use the chebi_pH7_3_mapping.tsv file (https://ftp.expasy.org/databases/rhea/tsv/chebi_pH7_3_mapping.tsv) which does the job and is provided in the Rhea distribution?
If you are starting from scratch, in addition to the is_conjugate_acid_of/is_conjugate_base_of relationships, you must also use the is_tautomer_of relationships. But in any case, none of these relationships can be used to determine microspecies at pH 7.3.
We compute the major microspecies at pH 7.3 using ChemAxon software. We are currently using a very old version of the plugin (chemaxon-marvinbeans-all-6.2.0) but we are in the process of moving forward to a new version. @muthuvenkat will be in charge of this development (it is a high priority task for us). The updated plugin provides different results/predictions. As a consequence, we will have to submit new ChEBI compounds and update the Rhea reactions accordingly.
We recently had a similar discussion with @deustp01 who asked the following question:
That leads to a specific question: what strategy do you use to decide on a charge state in cases like these – and also a more general one: is there a practical way to align practices among RHEA, ChEBI, Reactome and GO?
Our answer:
RHEA/UniProt, Reactome and GO biocurators could download and use the same version of MarvinSketch as the one used by the Swiss-Prot group in its UniProt/Rhea/ChEBI development code. By using MarvinSketch (https://chemaxon.com/products/marvin), which is free for individual, academic and non-commercial use; biocurators can compute the major microspecies at pH 7.3 (with defined parameters) then check if the 2D structure already exists in ChEBI, and if not, submit it using the ChEBI submission tool (https://www.ebi.ac.uk/chebi/submission). If some biocurators are not familiar with these tools, they can also request Rhea curators to do the job using the Rhea feed-back form (https://www.rhea-db.org/feedback).
Hope it helps!
We recently had a similar discussion with @deustp01
... triggered by our realizations that we need an authoritative single source of truth for predominant forms of ionizable molecules at pH 7.3, and that some combination of Rhea and ChEBI (unlike us) would have the expertise to provide this truth. Even if the authority uses someone else's program, like MarvinSketch, there is still a good argument for having a single authority rather than relying on all of us to maintain the same version of the program, implement it in the same way so as to guarantee identical outcomes in all cases, and interpret edge cases correctly. (This is an a priori opinion about software packages - I don't know this program so it's possible that it is robust enough to avoid these concerns.)
Hi Anne,
This issue is not about selecting the 7.3 IDs. I am assuming that is a solved problem for the purposes here, and the 7.3 form largely corresponds to the CHEBI IDs that have uniprot (biologist-friendly) synonyms.
The challenge this issue seeks to address is the fact that the 7.3 branch of CHEBI is incomplete with respect to is-a links. Unless I have made a mistake, there are 1650 missing is-a links. This means anyone using CHEBI for classification will get highly incomplete results.
On Wed, Feb 2, 2022 at 2:13 AM A. Morgat @.***> wrote:
Hi @cmungall https://github.com/cmungall! May I ask a naive question? Why don't you use the chebi_pH7_3_mapping.tsv file (https://ftp.expasy.org/databases/rhea/tsv/chebi_pH7_3_mapping.tsv) which does the job and is provided in the Rhea distribution?
If you are starting from scratch, in addition to the is_conjugate_acid_of/is_conjugate_base_of relationships, you must also use the is_tautomer_of relationships. But in any case, none of these relationships can be used to determine microspecies at pH 7.3.
We compute the major microspecies at pH 7.3 using ChemAxon software. We are currently using a very old version of the plugin (chemaxon-marvinbeans-all-6.2.0) but we are in the process of moving forward to a new version. @muthuvenkat https://github.com/muthuvenkat will be in charge of this development (it is a high priority task for us). The updated plugin provides different results/predictions. As a consequence, we will have to submit new ChEBI compounds and update the Rhea reactions accordingly.
We recently had a similar discussion with @deustp01 https://github.com/deustp01 who asked the following question:
That leads to a specific question: what strategy do you use to decide on a charge state in cases like these – and also a more general one: is there a practical way to align practices among RHEA, ChEBI, Reactome and GO?
Our answer:
RHEA/UniProt, Reactome and GO biocurators could download and use the same version of MarvinSketch as the one used by the Swiss-Prot group in its UniProt/Rhea/ChEBI development code. By using MarvinSketch (https://chemaxon.com/products/marvin), which is free for individual, academic and non-commercial use; biocurators can compute the major microspecies at pH 7.3 (with defined parameters) then check if the 2D structure already exists in ChEBI, and if not, submit it using the ChEBI submission tool (https://www.ebi.ac.uk/chebi/submission). If some biocurators are not familiar with these tools, they can also request Rhea curators to do the job using the Rhea feed-back form ( https://www.rhea-db.org/feedback).
Hope it helps!
— Reply to this email directly, view it on GitHub https://github.com/ebi-chebi/ChEBI/issues/4207#issuecomment-1027779430, or unsubscribe https://github.com/notifications/unsubscribe-auth/AAAMMOPI76P3OK2I36YXRXDUZD7URANCNFSM5NKIMIVQ . Triage notifications on the go with GitHub Mobile for iOS https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675 or Android https://play.google.com/store/apps/details?id=com.github.android&referrer=utm_campaign%3Dnotification-email%26utm_medium%3Demail%26utm_source%3Dgithub.
You are receiving this because you were mentioned.Message ID: @.***>
Here is an example visualized. I think there should be an is-a link between the two pink nodes, based on the fact there is an is-a link (blank) between their two conjugate-base-of siblings:
(green CBO = conjugate base of)
See also: http://purl.obolibrary.org/obo/CHEBI_143089 which shows the chain length
and pubchem agrees: https://pubchem.ncbi.nlm.nih.gov/compound/10-Hydroxystearic-acid "It is a hydroxy fatty acid and a long-chain fatty acid."
(interestingly they attribute this to CHEBI so perhaps they are doing their own inference over the conjugate bases)
Sorry for my misunderstanding ;-)
Yes, there are many missing relationships in ChEBI, at least 1'650 thanks to your analysis :-( So this question is for the ChEBI curators (@amalik01). How to deal with these missing links and do a systematic analysis to make the classification more robust. For UniProt/Rhea, @parit indexes the parent/compound classes for all protonation states (thus bypassing some missing relationships).
no problem!
so it sounds like you/@parit are essentially doing a post-processing step to make a more complete hierarchy, functionally this is the same as the GCI approach in GO. It would be great if we didn't all do our own post-processing but could feed this back into CHEBI!
If the terms are already present in ChEBI, then i can always add in the missing links if you send me a list with the missing is_a terms for the ChEBI ID's. However to completely fix this issue we actually need to create alot of new terms for the ionized structures since alot of the higher terms are missing from the ChEBI hierarchy since they are usually submitted by our users. I am not sure whether there is an automated way to create these missing terms since it will be an extremely time-consuming process if i start to fix it manually.
Hi @amalik01 here is the link again, see above for the format, happy to give it in a different format, also happy to help get you set up to run the sparql query as part of your normal QC process:
https://github.com/chemkg/chemrof/blob/master/chebi-scratch/conjugate-ph7-3-incomplete.tsv
I can also help you with automated approaches to find both missing links and missing named protonated forms. My preferred approach would be to do this as part of a general moving of CHEBI towards leveraging OWL and OWL definitions over the next few years, as this will be most sustainable, and other members of the OBO community can help. But if that is not feasible with your resources then maybe some canned QC queries would be best.
@cmungall With regards to adding the missing links - its seems that i have to go through the ChEBI hierarchy in order to see where the missing links are for alot of the ChEBI identifiers. Is there any simple way where you can just send me the ChEBI ID of the parent entry and inform me which direct relationship is missing from this particular ChEBI ID (E.g is a, is tautomer of, is conjugate acid of, is conjugate base of etc). It will save me a lot of time time.
Lets take the 4th example you gave in the table, 2,3-dihydroxybenzoate (CHEBI:36654) is missing an is_a relationship to aromatic carboxylate (CHEBI:91007). In order to add this relationship i need to go up the ChEBI hierarchy and add this term to its parent entry benzoates (CHEBI:22718) is_a aromatic carboxylate. Benzoates is also missing a conjugate base relationship to benzoic acids.
GO ontology #27059 looks relevant. Not sure that it's progress - more like an independent encounter with the same missing-links problem.
See also ChEBI issue 3823 "Document use of has_major_microspecies_at_pH_7_3 relationship type and how to traverse is-a in CHEBI "