ChEBI inconsistent charges between parents and children

inconsistent charges between parents and children

Open cmungall opened this issue 1 year ago • 6 comments

charge should be a functional inheritable property (see https://github.com/oborel/obo-relations/pull/723), but this is in conflict

charges-inconsistencies.tsv.txt

Example

cyanidin 3-O-(6-O-acetyl-beta-D-glucoside) (https://www.ebi.ac.uk/ols4/ontologies/chebi/classes/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131449)

charge +1

subclass

acetate ester

https://www.ebi.ac.uk/ols4/ontologies/chebi/classes/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_47622?lang=en

charge 0

subject	object	subject_label	object_label
CHEBI:103901	CHEBI:46874	2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester	alpha-amino acid ester
CHEBI:104144	CHEBI:36683	N'-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester	organochlorine compound
CHEBI:104145	CHEBI:46874	methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate	alpha-amino acid ester
CHEBI:104146	CHEBI:46874	2-(1-methyl-1-pyrrolidin-1-iumyl)acetic acid cyclododecyl ester	alpha-amino acid ester
CHEBI:11230	CHEBI:60479	1-acylglycerophosphocholine(1+)	lysophosphatidylcholine
CHEBI:11502	CHEBI:60479	2-acylglycerophosphocholine	lysophosphatidylcholine
CHEBI:11594	CHEBI:23399	2-coumarate	coumarate
CHEBI:11807	CHEBI:36173	5-hydroxy-6-methylpyridine-3,4-dicarboxylate	pyridinedicarboxylate
CHEBI:11893	CHEBI:47789	3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate	7-oxo steroid
CHEBI:123179	CHEBI:33855	2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3H-thiazole-5-carboxaldehyde	arenecarbaldehyde
CHEBI:124984	CHEBI:33566	[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-trimethylammonium	catechols
CHEBI:124987	CHEBI:18000	2-(1H-imidazol-5-yl)ethyl-trimethylammonium	aralkylamine
CHEBI:124995	CHEBI:25483	LSM-36456	naphthoic acid
CHEBI:125140	CHEBI:25483	4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethyl]-N,N,1-trimethyl-6-quinolin-1-iumamine	naphthoic acid
CHEBI:125693	CHEBI:32877	2-[4-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium 2-[5-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium	primary amine
CHEBI:12931	CHEBI:24148	D-galactonate	galactonate
CHEBI:12952	CHEBI:24175	aldehydo-D-galacturonate	galacturonate
CHEBI:13115	CHEBI:24461	L-gulonate	gulonate
CHEBI:131449	CHEBI:22798	cyanidin 3-O-(6-O-acetyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:131449	CHEBI:47622	cyanidin 3-O-(6-O-acetyl-beta-D-glucoside)	acetate ester
CHEBI:131451	CHEBI:22798	cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-beta-D-glucoside}	beta-D-glucoside
CHEBI:131452	CHEBI:22798	malvidin 3-O-{6-O-[(Z)-caffeoyl]-beta-D-glucoside}	beta-D-glucoside
CHEBI:131453	CHEBI:22798	malvidin 3-O-{6-O-[(E)-caffeoyl]-beta-D-glucoside}	beta-D-glucoside
CHEBI:131709	CHEBI:83228	N(6)-(1-hydroxy-2-oxopropyl)-L-lysine residue(1+)	L-alpha-amino acid residue
CHEBI:132040	CHEBI:29348	fatty acid-taurine conjugate(1-)	fatty amide
CHEBI:132099	CHEBI:36264	sodium molybdate tetrahydrate	molybdate
CHEBI:132416	CHEBI:83228	O(3)-(N-acetyl-alpha-D-glucosaminyl-poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue	L-alpha-amino acid residue
CHEBI:132528	CHEBI:193594	1-(Z-alk-1-enyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)	1-(Z)-alk-1-enyl-2-lyso-sn-glycerolipid
CHEBI:132988	CHEBI:60466	bradykinin(2+)	peptide zwitterion
CHEBI:133085	CHEBI:26666	2-hydroxy-3-methylpentanoate	short-chain fatty acid
CHEBI:133365	CHEBI:22798	pelargonin	beta-D-glucoside
CHEBI:133393	CHEBI:26335	prostaglandin B1(1-)	prostaglandins B
CHEBI:133488	CHEBI:33575	[(ppy)2Ir(mbpy-monoacid)]Cl	carboxylic acid
CHEBI:133575	CHEBI:29348	N-acyl-gamma-aminobutyrate	fatty amide
CHEBI:133701	CHEBI:140317	3-(3-sulfooxyphenyl)propanoate(2-)	phenyl sulfate oxoanion
CHEBI:133701	CHEBI:35757	3-(3-sulfooxyphenyl)propanoate(2-)	monocarboxylic acid anion
CHEBI:133740	CHEBI:140317	caffeic acid 3-sulfate(2-)	phenyl sulfate oxoanion
CHEBI:134122	CHEBI:136716	N-oleoyl-L-glutamate(2-)	N-(fatty acyl)-L-alpha-amino acid anion
CHEBI:134122	CHEBI:59874	N-oleoyl-L-glutamate(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:134764	CHEBI:18000	furtrethonium	aralkylamine
CHEBI:135363	CHEBI:18000	tiemonium	aralkylamine
CHEBI:135534	CHEBI:35748	lapyrium chloride	fatty acid ester
CHEBI:135683	CHEBI:18379	pentacynium chloride	nitrile
CHEBI:136397	CHEBI:35757	(2xi)-3-deoxy-7-O-phosphonato-beta-D-threo-hept-6-ulopyranosonate	monocarboxylic acid anion
CHEBI:136592	CHEBI:35973	(S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-)	3-oxo monocarboxylic acid anion
CHEBI:136593	CHEBI:35973	(R)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-)	3-oxo monocarboxylic acid anion
CHEBI:136716	CHEBI:29348	N-(fatty acyl)-L-alpha-amino acid anion	fatty amide
CHEBI:136749	CHEBI:136596	5-phospho-D-xylonate (3-)	4-hydroxy monocarboxylic acid anion
CHEBI:136756	CHEBI:136596	5-phospho-L-arabinonate(3-)	4-hydroxy monocarboxylic acid anion
CHEBI:136811	CHEBI:58958	12-sulfojasmonate	organosulfate oxoanion
CHEBI:136813	CHEBI:58958	11-sulfojasmonate	organosulfate oxoanion
CHEBI:136874	CHEBI:58855	piperazinium(2+)	secondary aliphatic ammonium ion
CHEBI:136881	CHEBI:35757	3-carboxy-3-hydroxypropanoyl-CoA(5-)	monocarboxylic acid anion
CHEBI:136894	CHEBI:83411	chenodeoxycholate 3-O-(beta-D-glucuronide)(2-)	beta-D-glucosiduronate
CHEBI:136905	CHEBI:83411	hyodeoxycholate 6-O-(beta-D-glucuronide)(2-)	beta-D-glucosiduronate
CHEBI:136906	CHEBI:83411	hyocholate 6-O-(beta-D-glucuronide)(2-)	beta-D-glucosiduronate
CHEBI:136907	CHEBI:133479	(7S)-7-hydroxy-C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue	S-(long-chain fatty acyl)-L-cysteine residue
CHEBI:136965	CHEBI:83411	lithocholate 3-O-(beta-D-glucuronide)(2-)	beta-D-glucosiduronate
CHEBI:137029	CHEBI:58848	N,N-dihydroxy-L-tetrahomomethionine	N,N-dihydroxytetrahomomethioninate
CHEBI:137065	CHEBI:58958	beta-D-GlcA3S-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc(2-)	organosulfate oxoanion
CHEBI:137069	CHEBI:58958	beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe(2-)	organosulfate oxoanion
CHEBI:137088	CHEBI:58958	beta-D-GlcA3S-(1->3)-beta-D-Gal-OMe(2-)	organosulfate oxoanion
CHEBI:137355	CHEBI:35757	5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3-)	monocarboxylic acid anion
CHEBI:137395	CHEBI:17188	pyridinium-3,5-biscarboxylic acid mononucleotide	nucleoside 5'-monophosphate
CHEBI:137398	CHEBI:17188	pyridinium-3,5-bisthiocarboxylic acid mononucleotide	nucleoside 5'-monophosphate
CHEBI:137399	CHEBI:17188	Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide	nucleoside 5'-monophosphate
CHEBI:137594	CHEBI:35757	N-acetyl-alpha-D-muramate 1-phosphate(3-)	monocarboxylic acid anion
CHEBI:137673	CHEBI:35757	3-sulfinatopropionate	monocarboxylic acid anion
CHEBI:137673	CHEBI:37785	3-sulfinatopropionate	organosulfinate oxoanion
CHEBI:138269	CHEBI:167120	1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine(1-)	oxidized 1-O-alkyl-2-acyl-sn-glycero-3-phosphocholine zwitterion
CHEBI:138330	CHEBI:35757	pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3-)	monocarboxylic acid anion
CHEBI:138464	CHEBI:59874	N-(12-hydroxy-12-oxojasmonyl)-L-alpha-amino acid dianion	N-acyl-L-alpha-amino acid anion
CHEBI:138661	CHEBI:35757	N-hexadecanoyl-O-(1-octadecanoyl-2-oleoyl-sn-glycero-3-phospho)-L-serine(2-)	monocarboxylic acid anion
CHEBI:139057	CHEBI:17188	pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide	nucleoside 5'-monophosphate
CHEBI:139151	CHEBI:35757	ADP-5-ethyl-4-methylthiazole-2-carboxylate(3-)	monocarboxylic acid anion
CHEBI:139292	CHEBI:35757	chlorophyllide(2-)	monocarboxylic acid anion
CHEBI:139511	CHEBI:29067	reduced coenzyme F420-(gamma-Glu)n polyanion	carboxylic acid anion
CHEBI:139530	CHEBI:65006	inositol phosphomannosylinositol-1-phospho-C20-phytoceramide	inositol phosphomannosylinositol phosphophytoceramide
CHEBI:139571	CHEBI:91007	8-carboxy-8-demethylriboflavin 5'-phosphate(4-)	aromatic carboxylate
CHEBI:139599	CHEBI:57643	1-hexadecanoyl-2-[(9E,13E)-octadeca-9,13-dienoyl]-sn-glycero-3-phosphocholine	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:140278	CHEBI:22798	5-hydroxyanthocyanin O-beta-D-glucoside	beta-D-glucoside
CHEBI:140494	CHEBI:83228	O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-2-O-phospho-xylosyl)-L-serine(2-) residue	L-alpha-amino acid residue
CHEBI:140534	CHEBI:13790	3-acetylamino-4-hydroxybenzaldehyde(1-)	N-acetylarylamine
CHEBI:140572	CHEBI:61660	heparan sulfate alpha-D-N-sulfoglucosamine polyanion	organic sulfamate oxoanion
CHEBI:140604	CHEBI:61660	heparan sulfate alpha-D-glucosaminide 6-sulfate polyanion	organic sulfamate oxoanion
CHEBI:140607	CHEBI:83228	S-(ADP-D-ribosyl)-L-cysteine(2-) residue	L-alpha-amino acid residue
CHEBI:140621	CHEBI:35267	cisatracurium	quaternary ammonium ion
CHEBI:140656	CHEBI:29950	N-terminal S-1,2-diacyl-sn-glyceryl-L-cysteine(1+) residue	L-cysteine residue
CHEBI:140699	CHEBI:35179	3-sulfinatopyruvate(2-)	2-oxo monocarboxylic acid anion
CHEBI:140699	CHEBI:37785	3-sulfinatopyruvate(2-)	organosulfinate oxoanion
CHEBI:140856	CHEBI:33715	N-terminal N-acetyl-L-aspartate residue	N-terminal alpha-amino-acid residue
CHEBI:140856	CHEBI:78598	N-terminal N-acetyl-L-aspartate residue	N-acetylamino-acid residue
CHEBI:140857	CHEBI:33715	N-terminal N-acetyl-L-glutamate residue	N-terminal alpha-amino-acid residue
CHEBI:140857	CHEBI:78598	N-terminal N-acetyl-L-glutamate residue	N-acetylamino-acid residue
CHEBI:141026	CHEBI:83228	EXXXY peptide residues(1-)	L-alpha-amino acid residue
CHEBI:141027	CHEBI:83228	E-Y cross-linked EXXXY peptide residues(1-)	L-alpha-amino acid residue
CHEBI:141048	CHEBI:35757	nocamycin E(2-)	monocarboxylic acid anion
CHEBI:141164	CHEBI:52594	SO3-3beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide	isoglobopentaosyl ceramide
CHEBI:141401	CHEBI:91007	5,5'-dehydrodivanillate(2-)	aromatic carboxylate
CHEBI:141402	CHEBI:91007	5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate	aromatic carboxylate
CHEBI:141414	CHEBI:17478	(E)-2-((N-methylformamido)methylene) succinate	aldehyde
CHEBI:141466	CHEBI:86315	1-methylthio-D-xylulose 5-phosphate(2-)	methyl sulfide
CHEBI:141467	CHEBI:86315	S-methyl glutathione(1-)	methyl sulfide
CHEBI:141486	CHEBI:50048	(2R)-4-(2-ammonio-1-hydroxyethyl)phenol	phenylethylamine
CHEBI:141553	CHEBI:83228	N(omega)-(1-hydroxy-2-oxoethyl)-L-argininium residue	L-alpha-amino acid residue
CHEBI:141554	CHEBI:83228	N(6)-(1-hydroxy-2-oxoethyl)-L-lysinium residue	L-alpha-amino acid residue
CHEBI:141602	CHEBI:141607	N-terminal L-aspartyl-L-aspartyl-L-aspartyl(2-) residue	N-terminal L-(Asp/Glu)3 residue
CHEBI:141602	CHEBI:78597	N-terminal L-aspartyl-L-aspartyl-L-aspartyl(2-) residue	N-terminal alpha-amino-acid(1+) residue
CHEBI:141603	CHEBI:78597	N-terminal L-glutamyl-L-glutamyl-L-glutamyl(2-) residue	N-terminal alpha-amino-acid(1+) residue
CHEBI:141604	CHEBI:141607	N-terminal N-acetyl-L-aspartyl-L-aspartyl-L-aspartyl(3-) residue	N-terminal L-(Asp/Glu)3 residue
CHEBI:141604	CHEBI:141608	N-terminal N-acetyl-L-aspartyl-L-aspartyl-L-aspartyl(3-) residue	N-terminal N-acetyl-L-(Asp/Glu)3 residue
CHEBI:141604	CHEBI:33715	N-terminal N-acetyl-L-aspartyl-L-aspartyl-L-aspartyl(3-) residue	N-terminal alpha-amino-acid residue
CHEBI:141604	CHEBI:78598	N-terminal N-acetyl-L-aspartyl-L-aspartyl-L-aspartyl(3-) residue	N-acetylamino-acid residue
CHEBI:141606	CHEBI:141608	N-terminal N-acetyl-L-glutamyl-L-glutamyl-L-glutamyl(3-) residue	N-terminal N-acetyl-L-(Asp/Glu)3 residue
CHEBI:141606	CHEBI:33715	N-terminal N-acetyl-L-glutamyl-L-glutamyl-L-glutamyl(3-) residue	N-terminal alpha-amino-acid residue
CHEBI:141606	CHEBI:78598	N-terminal N-acetyl-L-glutamyl-L-glutamyl-L-glutamyl(3-) residue	N-acetylamino-acid residue
CHEBI:141607	CHEBI:33715	N-terminal L-(Asp/Glu)3 residue	N-terminal alpha-amino-acid residue
CHEBI:141607	CHEBI:78598	N-terminal L-(Asp/Glu)3 residue	N-acetylamino-acid residue
CHEBI:141767	CHEBI:22798	4-O-beta-D-glucosyl-trans-ferulate	beta-D-glucoside
CHEBI:141781	CHEBI:33823	2-hydroxydodec-2-enoate	enol
CHEBI:141796	CHEBI:141795	beta-D-Gal3S-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:0)	beta-D-Gal3S-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
CHEBI:1418	CHEBI:62081	3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate	1,1-diunsubstituted alkanesulfonate
CHEBI:141816	CHEBI:83228	4,5-dihydroxy-L-lysine residue	L-alpha-amino acid residue
CHEBI:141817	CHEBI:83228	5-hydroxy-L-lysinium residue	L-alpha-amino acid residue
CHEBI:141829	CHEBI:83228	3,4-dihydroxy-L-argininium residue	L-alpha-amino acid residue
CHEBI:141843	CHEBI:83228	(5S)-5-hydroxy-L-lysinium residue	L-alpha-amino acid residue
CHEBI:142019	CHEBI:33308	1-hexacosanoyl-2-acylphosphoglycerolipid(1-)	carboxylic ester
CHEBI:142020	CHEBI:33308	1-[(17Z)-hexacos-17-enoyl]-2-acylphosphoglycerolipid(1-)	carboxylic ester
CHEBI:142021	CHEBI:33308	1-tetracosanoyl-2-acylphosphoglycerolipid(1-)	carboxylic ester
CHEBI:142022	CHEBI:33308	1-[(15Z)-tetracos-15-enoyl]-2-acylphosphoglycerolipid(1-)	carboxylic ester
CHEBI:142217	CHEBI:35757	ditrans,polycis-dodecaprenyl phosphate-GalA(2-)	monocarboxylic acid anion
CHEBI:142401	CHEBI:29999	3-O-[(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl]-L-serine(4-) residue	L-serine residue
CHEBI:142403	CHEBI:30013	3-O-[(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl]-L-threonine(4-) residue	L-threonine residue
CHEBI:142404	CHEBI:29999	3-O-[beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl]-L-serine(4-) residue	L-serine residue
CHEBI:142405	CHEBI:30013	3-O-[beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl]-L-threonine(4-) residue	L-threonine residue
CHEBI:142422	CHEBI:59814	gamma-carboxy-L-glutamate(3-)	L-alpha-amino acid anion
CHEBI:142515	CHEBI:83228	6-N-(ADP-D-ribosyl)-L-lysinium(1-) residue	L-alpha-amino acid residue
CHEBI:142516	CHEBI:29999	O-adenylyl-L-serine(1-) residue	L-serine residue
CHEBI:142534	CHEBI:25248	dihydroalstonine(1+)	methyl ester
CHEBI:142535	CHEBI:33308	dihydroserpentine(1+)	carboxylic ester
CHEBI:142540	CHEBI:83228	5-O-(ADP-D-ribosyl)-L-glutamate(2-) residue	L-alpha-amino acid residue
CHEBI:142554	CHEBI:83228	N(omega)-(ADP-D-ribosyl)-L-argininium(1-) residue	L-alpha-amino acid residue
CHEBI:142555	CHEBI:83228	N(4)-(ADP-D-ribosyl)-L-asparagine(2-) residue	L-alpha-amino acid residue
CHEBI:142556	CHEBI:83228	O-(ADP-D-ribosyl)-L-serine(2-) residue	L-alpha-amino acid residue
CHEBI:142557	CHEBI:83228	O-(ADP-D-ribosyl)-L-tyrosine(2-) residue	L-alpha-amino acid residue
CHEBI:142610	CHEBI:22798	chenodeoxycholate-3-O-beta-D-glucoside(1-)	beta-D-glucoside
CHEBI:142611	CHEBI:22798	lithocholate-3-O-beta-D-glucoside(1-)	beta-D-glucoside
CHEBI:142668	CHEBI:25248	intermediate I	methyl ester
CHEBI:142720	CHEBI:61429	N(2)-(ADP-D-ribosyl)-dGTP(6-)	dGTP(4-)
CHEBI:142722	CHEBI:140284	N(2)-(ADP-D-ribosyl)-dGMP(3-) residue	deoxyribonucleotide(1-) residue
CHEBI:142742	CHEBI:16044	S-methyl-L-methionine(1+) residue	L-methionine residue
CHEBI:142742	CHEBI:83228	S-methyl-L-methionine(1+) residue	L-alpha-amino acid residue
CHEBI:142752	CHEBI:47885	5'-pApG-3'(3-)	dinucleotide
CHEBI:142769	CHEBI:25248	precondylocarpine acetate	methyl ester
CHEBI:142769	CHEBI:47622	precondylocarpine acetate	acetate ester
CHEBI:142770	CHEBI:25248	dihydroprecondylocarpine acetate	methyl ester
CHEBI:142770	CHEBI:47622	dihydroprecondylocarpine acetate	acetate ester
CHEBI:142775	CHEBI:35924	FADH2-C4alpha-hydroperoxide(2-)	peroxol
CHEBI:142789	CHEBI:141855	5'-methyltriphosphate-guanosine-ribonucleotide(4-) residue	5'-end NTP-ribonucleotide(5-) residue
CHEBI:142805	CHEBI:22798	flavonol 7-O-(6-O-malonyl-beta-D-glucoside)(1-)	beta-D-glucoside
CHEBI:142810	CHEBI:25248	3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester	methyl ester
CHEBI:142811	CHEBI:25248	3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester	methyl ester
CHEBI:142846	CHEBI:35348	3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate	3beta-sterol
CHEBI:142861	CHEBI:25185	omega-sulfo-beta-dihydromenaquinone-9	menaquinones
CHEBI:142916	CHEBI:35348	4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-3beta-ol(1-)	3beta-sterol
CHEBI:142919	CHEBI:35348	4alpha-carboxy-stigmasta-7,24(24(1))-dien-3beta-ol(1-)	3beta-sterol
CHEBI:142974	CHEBI:51702	pseudomonate C	enoate ester
CHEBI:143025	CHEBI:139371	firefly D-sulfoluciferin(2-)	aryl sulfate oxoanion
CHEBI:143025	CHEBI:35757	firefly D-sulfoluciferin(2-)	monocarboxylic acid anion
CHEBI:143028	CHEBI:139371	firefly L-sulfoluciferin(2-)	aryl sulfate oxoanion
CHEBI:143028	CHEBI:35757	firefly L-sulfoluciferin(2-)	monocarboxylic acid anion
CHEBI:143035	CHEBI:33853	6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium	phenols
CHEBI:143067	CHEBI:24265	D-maltobionate	gluconate
CHEBI:143069	CHEBI:24265	lactobionate	gluconate
CHEBI:143075	CHEBI:59874	L-homocarnosine zwitterion	N-acyl-L-alpha-amino acid anion
CHEBI:143134	CHEBI:83228	S-succinyl-L-cysteine(2-) residue	L-alpha-amino acid residue
CHEBI:143175	CHEBI:24265	D-cellotrionate	gluconate
CHEBI:143176	CHEBI:24265	D-cellotetraonate	gluconate
CHEBI:143177	CHEBI:24265	D-cellopentaonate	gluconate
CHEBI:143178	CHEBI:24265	D-cellohexaonate	gluconate
CHEBI:143189	CHEBI:24265	D-maltotrionate	gluconate
CHEBI:143190	CHEBI:24265	D-maltotetraonate	gluconate
CHEBI:143191	CHEBI:24265	D-maltopentaonate	gluconate
CHEBI:143192	CHEBI:24265	D-maltohexaonate	gluconate
CHEBI:143193	CHEBI:24265	D-maltoheptaonate	gluconate
CHEBI:143254	CHEBI:29969	N(6)-(3-O-phospho-D-fructosyl)-L-lysinium(1-) residue	L-lysinium residue
CHEBI:143464	CHEBI:35358	3-(4-aminobenzenesulfonamido)-1-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-2-phenyl-1lambda5-pyrazol-1-ylium	sulfonamide
CHEBI:143469	CHEBI:35358	1-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-3-(4-acetamidobenzenesulfonamido)-2-phenyl-1lambda5-pyrazol-1-ylium	sulfonamide
CHEBI:143536	CHEBI:83228	N(6)-[1,1-(5-adenosylyl-alpha-D-ribose-1,2-di-O-yl)ethyl]-L-lysine(1-) residue	L-alpha-amino acid residue
CHEBI:143575	CHEBI:36836	4alpha-carboxyzymosterol(1-)	3beta-hydroxy steroid
CHEBI:143576	CHEBI:138177	anthocyanidin betaine	4-unsubstituted 3-hydroxyanthocyanidin betaine
CHEBI:143787	CHEBI:143797	GPI-anchor amidated L-aspartate residue(2-)	GPI-anchor amidated amino acid carboxyl end residue(1-)
CHEBI:143797	CHEBI:83228	GPI-anchor amidated amino acid carboxyl end residue(1-)	L-alpha-amino acid residue
CHEBI:143803	CHEBI:29961	GIPC-anchor amidated L-aspartate residue(2-)	L-aspartate residue
CHEBI:143823	CHEBI:90782	C-terminal-L-aspartate residue(2-)	C-terminal proteinogenic amino-acid residue(1-)
CHEBI:143887	CHEBI:30013	C-terminal L-threonine residue(1-)	L-threonine residue
CHEBI:143890	CHEBI:83408	2-ammonioethyl (2R)-2,3-dihydroxypropyl phosphate zwitterion	sn-glycerophosphodiester(1-)
CHEBI:143906	CHEBI:138282	5'-end NAD(1-) residue	5'-end ribonucleotide(2-) residue
CHEBI:143958	CHEBI:28965	gibberellin A17(2-)	dicarboxylic acid dianion
CHEBI:143959	CHEBI:28965	gibberellin A25(2-)	dicarboxylic acid dianion
CHEBI:144051	CHEBI:144019	5'-end phospho-adenosine-phospho-ribonucleoside(3-) residue	5'-end phospho-(purine-ribonucleoside)(2-) residue
CHEBI:144077	CHEBI:22798	(9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside	beta-D-glucoside
CHEBI:144095	CHEBI:83228	S-methylbutanedioate-L-cysteinyl(2-) residue	L-alpha-amino acid residue
CHEBI:144463	CHEBI:83228	S-(guanosine 3',5'-cyclic phosphate)-L-cysteine(1-) residue	L-alpha-amino acid residue
CHEBI:144611	CHEBI:17173	N(6)-(3-O-phospho-D-ribulosyl)-L-lysinium zwitterion	D-ribulose
CHEBI:144611	CHEBI:32551	N(6)-(3-O-phospho-D-ribulosyl)-L-lysinium zwitterion	L-lysinium(1+)
CHEBI:144614	CHEBI:58384	N-(3-O-phospho-D-ribulosyl)-cadaverine	cadaverine(2+)
CHEBI:144618	CHEBI:16023	N(6)-(3-O-phospho-D-erythrulosyl)-L-lysinium zwitterion	D-erythrulose
CHEBI:144618	CHEBI:32551	N(6)-(3-O-phospho-D-erythrulosyl)-L-lysinium zwitterion	L-lysinium(1+)
CHEBI:144619	CHEBI:16023	N-(D-erythrulosyl)-cadaverine(2+)	D-erythrulose
CHEBI:144620	CHEBI:58384	N-(3-O-phospho-D-erythrulosyl)-cadaverine	cadaverine(2+)
CHEBI:144647	CHEBI:144803	(1S,10S,10aS)-3-(CONH2)-9-Cl-1-(Me2N)-3,3a,4,10-(HO)4-10-Me-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracen-6-olate	(1S,10aS)-3-(CONH2)-1-(Me2N)-3,3a,4,6-(HO)4-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracene
CHEBI:144776	CHEBI:16307	delphinidin 3-O-beta-D-glucoside betaine	anthocyanidin 3-O-beta-D-glucoside
CHEBI:144778	CHEBI:16307	pelargonidin 3-O-beta-D-glucoside betaine	anthocyanidin 3-O-beta-D-glucoside
CHEBI:144780	CHEBI:16307	peonidin 3-O-beta-D-glucoside betaine	anthocyanidin 3-O-beta-D-glucoside
CHEBI:144782	CHEBI:16307	malvidin 3-O-beta-D-glucoside betaine	anthocyanidin 3-O-beta-D-glucoside
CHEBI:144926	CHEBI:76179	O-[S-(L-cysteinyl)pantetheine-4'-phosphoryl]-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:144927	CHEBI:76179	O-[S-(L-threonyl)pantetheine-4'-phosphoryl]-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:144944	CHEBI:27621	L-arginyl-AMP(1+)	L-arginine ester
CHEBI:144951	CHEBI:76179	O-(S-glycylpantetheine-4'-phosphoryl)-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:144955	CHEBI:76179	O-[S-(L-seryl)pantetheine-4'-phosphoryl]-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:144956	CHEBI:76179	O-[S-(L-tryptophyl)pantetheine-4'-phosphoryl]-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:144958	CHEBI:76179	O-[S-(L-alanyl)pantetheine-4'-phosphoryl]-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:144966	CHEBI:76179	O-[S-(L-arginyl)pantetheine-4'-phosphoryl]serine(1+) residue	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:144979	CHEBI:76179	O-[S-(4-chloro-L-threonyl)pantetheine-4'-phosphoryl]-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:145013	CHEBI:22798	rebaudioside B(1-)	beta-D-glucoside
CHEBI:145042	CHEBI:37424	solasodine 3-beta-D-glucoside(1+)	sterol 3-beta-D-glucoside
CHEBI:145344	CHEBI:35757	N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-6-sulfooxy-glucosaminide(2-)	monocarboxylic acid anion
CHEBI:145344	CHEBI:58958	N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-6-sulfooxy-glucosaminide(2-)	organosulfate oxoanion
CHEBI:145345	CHEBI:35757	N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-6-sulfooxy-glucosaminide(2-)	monocarboxylic acid anion
CHEBI:145345	CHEBI:58958	N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-6-sulfooxy-glucosaminide(2-)	organosulfate oxoanion
CHEBI:145434	CHEBI:59996	oleoyl-sn-glycero-3-phosphoethanolamine zwitterion	1,2-diacyl-sn-glycerol 3-diphosphate(3-)
CHEBI:145546	CHEBI:145545	S-nitroso-coenzyme A(4-)	nitrosothio compound
CHEBI:145653	CHEBI:25248	carpronium	methyl ester
CHEBI:145689	CHEBI:140326	1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium	tertiary carboxamide
CHEBI:145693	CHEBI:22798	delphinidin 3-O-rutinoside-7-O-beta-D-glucoside	beta-D-glucoside
CHEBI:145697	CHEBI:33308	butropium	carboxylic ester
CHEBI:145698	CHEBI:50471	amezinium	primary arylamine
CHEBI:145701	CHEBI:32955	butylscopolamine	epoxide
CHEBI:145701	CHEBI:33308	butylscopolamine	carboxylic ester
CHEBI:145791	CHEBI:26878	trospium	tertiary alcohol
CHEBI:145791	CHEBI:33308	trospium	carboxylic ester
CHEBI:145811	CHEBI:83228	4-phospho-L-aspartate(2-) residue	L-alpha-amino acid residue
CHEBI:145897	CHEBI:137001	L-arginine amide(1+) residue	C-terminal alpha-amino-acid amide residue
CHEBI:145899	CHEBI:137001	L-aspartate 1-amide residue	C-terminal alpha-amino-acid amide residue
CHEBI:145903	CHEBI:137001	L-glutamate 1-amide residue	C-terminal alpha-amino-acid amide residue
CHEBI:145912	CHEBI:137001	L-lysine amide(1+) residue	C-terminal alpha-amino-acid amide residue
CHEBI:145995	CHEBI:24279	3-benzoyloxypropyl glucosinolate	glucosinolate
CHEBI:145996	CHEBI:24279	4-benzoyloxybutyl glucosinolate	glucosinolate
CHEBI:145997	CHEBI:24279	5-benzoyloxypentyl glucosinolate	glucosinolate
CHEBI:146143	CHEBI:66012	herquline B(1+)	herquline B
CHEBI:146199	CHEBI:29950	S-(S-glutathionyl)-L-cysteine(1-) residue	L-cysteine residue
CHEBI:146211	CHEBI:140358	L-glycero-L-galacto-octuluronate-1-phosphate	monosaccharide 1-phosphate(2-)
CHEBI:146214	CHEBI:26878	flutropium	tertiary alcohol
CHEBI:146214	CHEBI:33308	flutropium	carboxylic ester
CHEBI:146214	CHEBI:37143	flutropium	organofluorine compound
CHEBI:146235	CHEBI:25248	angryline(1+)	methyl ester
CHEBI:146237	CHEBI:25248	dehydrosecodine(1+)	methyl ester
CHEBI:146262	CHEBI:60251	6-O-adenylylstreptomycin(2+)	guanidinium ion
CHEBI:147407	CHEBI:132367	prunetin-C(8)-beta-D-glucuronide(2-)	beta-D-glucuronoside(1-)
CHEBI:147407	CHEBI:50526	prunetin-C(8)-beta-D-glucuronide(2-)	phenolate
CHEBI:147427	CHEBI:22798	petunidin 3-(6''-acetylglucoside)	beta-D-glucoside
CHEBI:149470	CHEBI:58500	(7R,8S)-8-ammonio-7-(carboxylatoamino)nonanoate	7,8-diaminononanoate cation
CHEBI:149484	CHEBI:137982	chloroquine(2+)	tertiary ammonium ion
CHEBI:149486	CHEBI:83411	mycophenolate 7-O-beta-D-glucuronide(2-)	beta-D-glucosiduronate
CHEBI:149509	CHEBI:35757	candesartan(2-)	monocarboxylic acid anion
CHEBI:149522	CHEBI:83411	candesartan O-beta-D-glucuronoside(2-)	beta-D-glucosiduronate
CHEBI:149523	CHEBI:132367	candesartan-2-N-beta-D-glucuronide(2-)	beta-D-glucuronoside(1-)
CHEBI:149524	CHEBI:35757	zolasartan(2-)	monocarboxylic acid anion
CHEBI:149526	CHEBI:83411	zolarsartan O-beta-D-glucuronoside(2-)	beta-D-glucosiduronate
CHEBI:149527	CHEBI:132367	zolarsartan-1-N-beta-D-glucuronide(2-)	beta-D-glucuronoside(1-)
CHEBI:149528	CHEBI:132367	zolarsartan-2-N-beta-D-glucuronide(2-)	beta-D-glucuronoside(1-)
CHEBI:149531	CHEBI:35757	carminate(2-)	monocarboxylic acid anion
CHEBI:149533	CHEBI:35757	flavokermesate 7-C-beta-D-glucoside(2-)	monocarboxylic acid anion
CHEBI:149538	CHEBI:60251	polyhexamethylene biguanide(2+)	guanidinium ion
CHEBI:149564	CHEBI:137982	hydroxychloroquine(2+)	tertiary ammonium ion
CHEBI:149630	CHEBI:50523	(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate	butenolide
CHEBI:149675	CHEBI:33315	helium-3(1+)	monoatomic helium
CHEBI:149691	CHEBI:33419	carbon-12(4+)	monoatomic carbon
CHEBI:149692	CHEBI:33264	oxygen-16(6+)	monoatomic oxygen
CHEBI:149695	CHEBI:83228	N(6)-all-trans-retinylidene-L-lysinium residue	L-alpha-amino acid residue
CHEBI:149717	CHEBI:136398	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp(2-)	N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside(1-)
CHEBI:149736	CHEBI:136716	N-(fatty acyl)-L-lysine zwitterion	N-(fatty acyl)-L-alpha-amino acid anion
CHEBI:152565	CHEBI:35757	N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-beta-D-4-sulfogalactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-D-4-sulfogalactosamine(4-)	monocarboxylic acid anion
CHEBI:152565	CHEBI:58958	N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-beta-D-4-sulfogalactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-D-4-sulfogalactosamine(4-)	organosulfate oxoanion
CHEBI:152566	CHEBI:35757	alpha-L-iduronyl-(1->3)-N-acetyl-beta-D-4-sulfogalactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-D-4-sulfogalactosamine(4-)	monocarboxylic acid anion
CHEBI:152566	CHEBI:58958	alpha-L-iduronyl-(1->3)-N-acetyl-beta-D-4-sulfogalactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-D-4-sulfogalactosamine(4-)	organosulfate oxoanion
CHEBI:152567	CHEBI:35757	N-acetyl-beta-D-6-sulfogalactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-D-6-sulfogalactosamine(3-)	monocarboxylic acid anion
CHEBI:152567	CHEBI:58958	N-acetyl-beta-D-6-sulfogalactosaminyl-(1->4)-alpha-L-iduronyl-(1->3)-N-acetyl-D-6-sulfogalactosamine(3-)	organosulfate oxoanion
CHEBI:152568	CHEBI:35757	alpha-L-iduronyl-(1->3)-N-acetyl-D-6-sulfogalactosamine(3-)	monocarboxylic acid anion
CHEBI:152568	CHEBI:58958	alpha-L-iduronyl-(1->3)-N-acetyl-D-6-sulfogalactosamine(3-)	organosulfate oxoanion
CHEBI:15355	CHEBI:47622	acetylcholine	acetate ester
CHEBI:15378	CHEBI:33251	hydron	monoatomic hydrogen
CHEBI:155887	CHEBI:84410	N-(1,2-saturated very-long-chain fatty acyl)-(R)-4-hydroxysphingoid base	sphingoid base(1+)
CHEBI:155929	CHEBI:84410	N-(2-hydroxy-very-long-chain fatty acyl)-(R)-4-hydroxysphingoid base	sphingoid base(1+)
CHEBI:156053	CHEBI:137967	N(6)-((3R)-3,6-diaminohexanoyl)-L-lysine(2+) residue	N(6)-acyl-L-lysine residue
CHEBI:156054	CHEBI:137967	N(6)-((3R)-3,6-diaminohexanoyl)-5-hydroxy-L-lysine(2+) residue	N(6)-acyl-L-lysine residue
CHEBI:156132	CHEBI:47910	L-thialysinium	S-substituted L-cysteine
CHEBI:156217	CHEBI:74944	bis(sec-butylsulfanyl)phosphinate	dithiophosphoric acid
CHEBI:156247	CHEBI:16733	Se-methyl-D-selenomethionine	D-alpha-amino acid
CHEBI:156254	CHEBI:78597	3-sulfino-L-alanyl residue	N-terminal alpha-amino-acid(1+) residue
CHEBI:156463	CHEBI:57930	N(2),N(2),N(7)-trimethylguanosine diphosphate (2-)	nucleoside 5'-diphosphate(3-)
CHEBI:156504	CHEBI:32535	N(tele)-(phosphonato-5'AACA-mRNA)-L-histidine(4-) residue	histidine residue
CHEBI:156504	CHEBI:83228	N(tele)-(phosphonato-5'AACA-mRNA)-L-histidine(4-) residue	L-alpha-amino acid residue
CHEBI:156567	CHEBI:60245	alpha-D-glucuronosyl-(1<->6)-1D-myo-inositol-1-phospho-N-[(R)-2-hydroxy-very-long-chain fatty acyl]-(R)-4-hydroxysphingoid base(2-)	inositol phosphoceramide
CHEBI:15748	CHEBI:24297	D-glucuronate	glucuronate
CHEBI:157750	CHEBI:61660	heparan sulfate polyanion	organic sulfamate oxoanion
CHEBI:157765	CHEBI:33913	5-methoxybenzimidazolylcob(I)amide(1-)	corrinoid
CHEBI:15852	CHEBI:140785	aquacob(III)alamin	R-cob(III)alamin
CHEBI:15858	CHEBI:36896	bromide	monoatomic bromine
CHEBI:15870	CHEBI:63733	betaine aldehyde hydrate	aldehyde hydrate
CHEBI:15893	CHEBI:26457	1-pyrroline-5-carboxylate	1-pyrrolinecarboxylate
CHEBI:15942	CHEBI:22493	2-aminobenzenesulfonate	aminobenzenesulfonate
CHEBI:16120	CHEBI:25798	5-oxopentanoate	oxopentanoates
CHEBI:16338	CHEBI:59814	4-hydroxy-L-glutamate(2-)	L-alpha-amino acid anion
CHEBI:16382	CHEBI:36897	iodide	monoatomic iodine
CHEBI:16490	CHEBI:29067	S-adenosyl-4-methylthio-2-oxobutanoate	carboxylic acid anion
CHEBI:166498	CHEBI:17087	Trimethylaminoacetone	ketone
CHEBI:166825	CHEBI:35267	pentamethonium	quaternary ammonium ion
CHEBI:166915	CHEBI:139444	Man-alpha-1->6-Ins-1-P-Cer(d20:0)(1-)	Man-1-6-Ins-1-P-Cer(d20:0)
CHEBI:16692	CHEBI:83228	diphthamide residue	L-alpha-amino acid residue
CHEBI:166997	CHEBI:37424	gamma-chaconine(1+)	sterol 3-beta-D-glucoside
CHEBI:166998	CHEBI:37424	tomatidine 3-O-beta-D-glucopyranoside(1+)	sterol 3-beta-D-glucoside
CHEBI:167101	CHEBI:58342	(3E)-2-(2-carboxylatoethyl)-3-methyl-6-oxocyclohex-1-ene-1-carboxyl-CoA(5-)	acyl-CoA(4-)
CHEBI:167102	CHEBI:58342	6-methyl-3,7-dioxodecanedioyl-CoA(5-)	acyl-CoA(4-)
CHEBI:167103	CHEBI:58342	4-methyl-5-oxo-octanedioyl-CoA(5-)	acyl-CoA(4-)
CHEBI:167132	CHEBI:22798	gypsogenate 28-beta-D-glucoside(1-)	beta-D-glucoside
CHEBI:167135	CHEBI:22798	16alpha-hydroxygypsogenate 28-beta-D-glucoside(1-)	beta-D-glucoside
CHEBI:167304	CHEBI:78784	O-[S-(2S,4S,5S)-2-azaniumyl-6-(3,4-dihydroxyphenyl)-4-hydroxy-5-(methylammonio)hexanoylpantetheine-4'-phosphoryl]serine(1+) residue	O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue
CHEBI:167307	CHEBI:78784	O-{S-(2S,4S)-2-azaniumyl-4-[(3S)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-hydroxybutanoylpantetheine-4'-phosphoryl}serine(1+) residue	O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue
CHEBI:167452	CHEBI:35681	wortmanamide A(1-)	secondary alcohol
CHEBI:167453	CHEBI:35681	wortmanamide B(1-)	secondary alcohol
CHEBI:167492	CHEBI:35757	(3S)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate	monocarboxylic acid anion
CHEBI:167493	CHEBI:35757	(3R)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate	monocarboxylic acid anion
CHEBI:167634	CHEBI:64716	1,2-(13-methyl-tetradecanoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)	1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)
CHEBI:167713	CHEBI:36683	6'-chloromelleolide F(1-)	organochlorine compound
CHEBI:167845	CHEBI:15904	9-nitrooleate	long-chain fatty acid
CHEBI:167901	CHEBI:28965	(2S,4S)-4-hydroxy-4-methylglutamate(1-)	dicarboxylic acid dianion
CHEBI:167910	CHEBI:28965	(2S,4R)-4-hydroxy-4-methylglutamate(1-)	dicarboxylic acid dianion
CHEBI:168747	CHEBI:25698	7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,6,9,11-hexaen-2-ylium	ether
CHEBI:168962	CHEBI:15341	2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}-3,5,7-trihydroxy-1?-chromen-1-ylium	beta-D-glucosiduronic acid
CHEBI:16923	CHEBI:59874	N-formyl-L-aspartate(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:16953	CHEBI:59874	N-acetyl-L-aspartate(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:169863	CHEBI:16670	6-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-4,7,11-trihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,9,11-pentaen-2-ylium	peptide
CHEBI:169899	CHEBI:25698	4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium	ether
CHEBI:169942	CHEBI:16816	kaempferol 3-O-beta-D-glucoside(1-)	flavonol 3-O-beta-D-glucoside
CHEBI:169943	CHEBI:58034	kaempferol 3-O-(6-O-malonyl-beta-D-glucoside)(2-)	flavonol 3-O-(6-O-malonyl-beta-D-glucoside)(1-)
CHEBI:169944	CHEBI:52144	kaempferol 7-O-beta-D-glucoside(1-)	flavonol 7-O-beta-D-glucoside
CHEBI:169945	CHEBI:142805	kaempferol 7-O-(6-O-malonyl-beta-D-glucoside)(2-)	flavonol 7-O-(6-O-malonyl-beta-D-glucoside)(1-)
CHEBI:169948	CHEBI:58034	quercetin 3-O-(6-O-malonyl-beta-D-glucoside)(2-)	flavonol 3-O-(6-O-malonyl-beta-D-glucoside)(1-)
CHEBI:169949	CHEBI:142805	apigenin 7-O-(6-O-malonyl-beta-D-glucoside)(2-)	flavonol 7-O-(6-O-malonyl-beta-D-glucoside)(1-)
CHEBI:170000	CHEBI:137982	dilazep(2+)	tertiary ammonium ion
CHEBI:17051	CHEBI:36895	fluoride	monoatomic fluorine
CHEBI:172363	CHEBI:132023	S-malonyl-4'-phosphopantetheine(3-)	S-acyl-4'-phosphopantetheine(2-)
CHEBI:172364	CHEBI:132023	S-succinyl-4'-phosphopantetheine(3-)	S-acyl-4'-phosphopantetheine(2-)
CHEBI:172371	CHEBI:138282	5'-CoA-ribonucleoside(2-) residue	5'-end ribonucleotide(2-) residue
CHEBI:172372	CHEBI:138282	5'-FAD-phospho-ribonucleoside(2-) residue	5'-end ribonucleotide(2-) residue
CHEBI:172420	CHEBI:59554	Hydroxyadipate	medium-chain fatty acid
CHEBI:17271	CHEBI:35757	3-phosphonatopyruvate(3-)	monocarboxylic acid anion
CHEBI:172870	CHEBI:136912	phosphatidylethanolamine amidated glycine zwitterion	1,2-diacyl-sn-glycero-3-phospholipid
CHEBI:172876	CHEBI:138282	5'-(N(7)-methyl 5'-triphospho-guanosine)-ribonucleoside-ribonucleotide(3-) residue	5'-end ribonucleotide(2-) residue
CHEBI:172924	CHEBI:28965	(2S)-2-amino-2'-deoxyadenylo-succinate(4-)	dicarboxylic acid dianion
CHEBI:172927	CHEBI:18241	2-amino-2'-deoxyadenosine 5'-monophosphate(2-)	2'-deoxyribonucleoside 5'-monophosphate
CHEBI:173425	CHEBI:23315	Nicotine imine	citraconoyl group
CHEBI:17360	CHEBI:33530	D-altronate	altronate
CHEBI:173895	CHEBI:24646	N-(2,5-Dihydroxyphenyl)pyridinium(1+)	hydroquinones
CHEBI:17425	CHEBI:26457	1-pyrroline-2-carboxylate	1-pyrrolinecarboxylate
CHEBI:174774	CHEBI:26401	S-methylazathioprine	purines
CHEBI:174897	CHEBI:16670	Arginyl-Glutamate	peptide
CHEBI:17503	CHEBI:59876	N-acyl-D-glutamates(2-)	N-acyl-D-alpha-amino acid anion
CHEBI:17504	CHEBI:60479	1-O-acyl-sn-glycero-3-phosphocholine(1+)	lysophosphatidylcholine
CHEBI:17583	CHEBI:136716	N-(long-chain-fatty-acyl)-L-glutamate	N-(fatty acyl)-L-alpha-amino acid anion
CHEBI:176482	CHEBI:33704	N,N,N-Trimethyllysine	alpha-amino acid
CHEBI:176489	CHEBI:83228	O(3)-{6-O-sulfo-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue	L-alpha-amino acid residue
CHEBI:176490	CHEBI:83228	O(3)-{6-O-sulfo-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl}-L-serine residue	L-alpha-amino acid residue
CHEBI:176493	CHEBI:83228	O(3)-{beta-D-galactosyl-(1->3)-[6-O-sulfo-N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue	L-alpha-amino acid residue
CHEBI:176494	CHEBI:83228	O(3)-{beta-D-galactosyl-(1->3)-[6-O-sulfo-N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-serine residue	L-alpha-amino acid residue
CHEBI:176503	CHEBI:78189	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine	alkylacylglycero-3-phosphocholine
CHEBI:176519	CHEBI:76179	O-[S-(3-oxo-6-carboxyhexanoyl)pantetheine-4'-phosphoryl]serine(2-) residue	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:17652	CHEBI:59814	3-hydroxy-L-glutamate(2-)	L-alpha-amino acid anion
CHEBI:176634	CHEBI:83228	O(3)-{beta-D-galactosyl-(1->3)-[beta-D-galactosyl-(1->4)-6-O-sulfo-N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue	L-alpha-amino acid residue
CHEBI:176635	CHEBI:83228	O(3)-{beta-D-galactosyl-(1->3)-[beta-D-galactosyl-(1->4)-6-O-sulfo-N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-serine residue	L-alpha-amino acid residue
CHEBI:176703	CHEBI:35748	ACar 10:1	fatty acid ester
CHEBI:176730	CHEBI:35748	ACar 20:4	fatty acid ester
CHEBI:176776	CHEBI:59554	cis-3-hexenylacetate	medium-chain fatty acid
CHEBI:17684	CHEBI:59874	N-formyl-L-glutamate(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:176906	CHEBI:83228	N(pros)-(5'-guanosyl-phosphono)-L-histidine(1-) residue	L-alpha-amino acid residue
CHEBI:177331	CHEBI:30013	3-O-[D-ribitylphospho-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl]-L-threonine(3-) residue	L-threonine residue
CHEBI:177336	CHEBI:30013	3-O-[beta-D-glucuronosyl-(1->3)-beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl]-L-threonine(5-) residue	L-threonine residue
CHEBI:177352	CHEBI:30013	3-O-[alpha-D-xylosyl-(1->3)-beta-D-glucuronosyl-(1->4)-beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl]-L-threonine(5-) residue	L-threonine residue
CHEBI:177354	CHEBI:30013	3-O-{poly[alpha-D-xylosyl-(1->3)-beta-D-glucuronosyl-(1->3)]-(1->4)-beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl}-L-threonine polyanion residue	L-threonine residue
CHEBI:177355	CHEBI:30013	3-O-{beta-D-glucuronosyl-(1->3)-poly[alpha-D-xylosyl-(1->3)-beta-D-glucuronosyl-(1->3)]-(1->4)-beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl}-L-threonine polyanion residue	L-threonine residue
CHEBI:177363	CHEBI:30013	3-O-{3-sulfo-beta-D-glucuronosyl-(1->3)-poly[alpha-D-xylosyl-(1->3)-beta-D-glucuronosyl-(1->3)]-(1->4)-beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl}-L-threonine polyanion residue	L-threonine residue
CHEBI:177363	CHEBI:61660	3-O-{3-sulfo-beta-D-glucuronosyl-(1->3)-poly[alpha-D-xylosyl-(1->3)-beta-D-glucuronosyl-(1->3)]-(1->4)-beta-D-xylosyl-(1->4)-(D-ribitylphospho)2-3-N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-O-6-phospho-alpha-D-mannosyl}-L-threonine polyanion residue	organic sulfamate oxoanion
CHEBI:17746	CHEBI:27345	D-xylonate	xylonate
CHEBI:177591	CHEBI:15705	(E)-2-[(2S)-2-Amino-2-carboxyethoxy]-2-hydroxyethenediazonium	L-alpha-amino acid
CHEBI:178025	CHEBI:138029	3beta-hydroxy-lanosta-8, 24-dien-26-oate	14alpha-methyl steroid
CHEBI:178025	CHEBI:35348	3beta-hydroxy-lanosta-8, 24-dien-26-oate	3beta-sterol
CHEBI:178112	CHEBI:79323	(4-Hydroxybenzoyl)choline	4-hydroxybenzoate ester
CHEBI:178400	CHEBI:16728	PC(0:0/4:0)	2-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:178586	CHEBI:16728	PC(0:0/3:1(2E))	2-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:179166	CHEBI:16728	PC(0:0/3:0)	2-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:179670	CHEBI:33566	5-Methyl-6-hydroxyluteolinidin	catechols
CHEBI:17996	CHEBI:33432	chloride	monoatomic chlorine
CHEBI:180488	CHEBI:137982	cis-flupenthixol(2+)	tertiary ammonium ion
CHEBI:180501	CHEBI:137419	N,N'-bis(diphenylmethyl)ethane-1,2-diamine(2+)	secondary ammonium ion
CHEBI:180559	CHEBI:16670	[2-[[1-[[1-[2-[(1-Carboxy-2-hydroxypropyl)carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium	peptide
CHEBI:180814	CHEBI:33184	10Z-heptadecenoyl-CoA	long-chain fatty acyl-CoA
CHEBI:180851	CHEBI:57643	PC(MonoMe(13,5)/DiMe(13,5))	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:180896	CHEBI:57643	PC(DiMe(11,5)/DiMe(13,5))	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:180902	CHEBI:17478	spermine dialdehyde(2+)	aldehyde
CHEBI:180903	CHEBI:17478	spermine monoaldehyde(+3)	aldehyde
CHEBI:180910	CHEBI:17478	(2R)-2-hydroxypyrrolidine-1-carboximidamide(1+)	aldehyde
CHEBI:180911	CHEBI:58958	suramin(6-)	organosulfate oxoanion
CHEBI:180912	CHEBI:29067	putreanine(1+)	carboxylic acid anion
CHEBI:180913	CHEBI:29067	N-(2-carboxyethyl)spermidine(2+)	carboxylic acid anion
CHEBI:180987	CHEBI:33566	(2S)-2-(3,4-Dihydroxyphenyl)-2-hydroxyacetate	catechols
CHEBI:181314	CHEBI:33704	Denatonium_TP222	alpha-amino acid
CHEBI:181401	CHEBI:57643	Trimethyl[2-[2-[(hexadecanoyloxy)methyl]-2-[(Z)-9-octadecenoyloxy]ethoxyphosphinyloxy]ethyl]aminium	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:18272	CHEBI:24367	N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide	glycinamide ribonucleotide(2-)
CHEBI:182947	CHEBI:58168	2-[Hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium	1-O-acyl-sn-glycero-3-phosphocholine
CHEBI:183061	CHEBI:83991	(Z)-phenyl-N-(sulfonatooxy)methanimidothioate	imidothioate
CHEBI:183062	CHEBI:83991	(Z)-N-(sulfonatooxy)prop-2-enimidothioate	imidothioate
CHEBI:183084	CHEBI:83991	(Z)-N-(sulfonatooxy)alkenimidothioate	imidothioate
CHEBI:183089	CHEBI:83991	(Z)-N-(sulfonatooxy)alkanimidothioate	imidothioate
CHEBI:183090	CHEBI:177064	(Z)-3-hydroxypropyl glucosinolate(1-)	3-Hydroxypropyl-Glucosinolate
CHEBI:183091	CHEBI:83991	(Z)-3-hydroxypropyl-N-(sulfonatooxy)methanimidothioate	imidothioate
CHEBI:183093	CHEBI:83991	(Z)-4-methylsufinylbutyl-N-(sulfonatooxy)methanimidothioate	imidothioate
CHEBI:183097	CHEBI:83991	(Z)-(2R)-2-hydroxy-3-butenyl-N-(sulfonatooxy)methanimidothioate	imidothioate
CHEBI:183222	CHEBI:83991	(Z)-4-methylsulfanylbutyl-N-(sulfonatooxy)methanimidothioate	imidothioate
CHEBI:183234	CHEBI:17968	(3R)-4-(dimethylammonio)-3-hydroxybutanoate	butyrate
CHEBI:183613	CHEBI:57643	PC(DiMe(9,3)/DiMe(9,3))	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:18385	CHEBI:15734	thiamine(1+)	primary alcohol
CHEBI:18391	CHEBI:24265	D-gluconate	gluconate
CHEBI:183977	CHEBI:57643	1-hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:183983	CHEBI:57643	1-palmitoyl-2-azelaoylphosphatidylcholine	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:18421	CHEBI:33263	superoxide	diatomic oxygen
CHEBI:184300	CHEBI:83228	ADP-2'-imine-ribofurano[1',2':4,5]oxazolidine(2-) residue	L-alpha-amino acid residue
CHEBI:184339	CHEBI:57643	(3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:184374	CHEBI:60251	6-O-guanylylstreptomycin(2+)	guanidinium ion
CHEBI:184376	CHEBI:60251	streptidine(2+)	guanidinium ion
CHEBI:184613	CHEBI:16728	PC(0:0/18:1(6Z))	2-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:184705	CHEBI:26819	2-(sulfooxy)acetate	sulfuric ester
CHEBI:184937	CHEBI:25698	3,6-Dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate	ether
CHEBI:185321	CHEBI:57643	(3-{[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyl]oxy}-2-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:185483	CHEBI:57643	(3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:186040	CHEBI:38695	[6-(2H-chromen-2-ylidene)cyclohexa-2,4-dien-1-ylidene]oxidanium	anthocyanidin
CHEBI:186065	CHEBI:16728	PC(0:0/6:0)	2-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:187217	CHEBI:25698	3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate	ether
CHEBI:187673	CHEBI:16728	PC(0:0/5:0)	2-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:187894	CHEBI:18379	cyanopindolol(1+)	nitrile
CHEBI:187898	CHEBI:24796	(Z)-glucobrassicin(1-)	indolylmethylglucosinolate
CHEBI:188092	CHEBI:78196	Lyso-PAF C-16-d4	monoalkylglycerophosphocholine
CHEBI:18814	CHEBI:35179	(Z)-4-(2-hydroxy-5-sulfonatophenyl)-2-oxobut-3-enoate	2-oxo monocarboxylic acid anion
CHEBI:188144	CHEBI:76983	chlorimuron-ethyl(1-)	N-sulfonylurea
CHEBI:188355	CHEBI:58342	3-phenylsuccinyl-CoA(5-)	acyl-CoA(4-)
CHEBI:188357	CHEBI:58342	2-phenylsuccinyl-CoA(5-)	acyl-CoA(4-)
CHEBI:188359	CHEBI:58342	(S)-2-benzylsuccinyl-CoA(5-)	acyl-CoA(4-)
CHEBI:188360	CHEBI:58342	benzylmalonyl-CoA(5-)	acyl-CoA(4-)
CHEBI:188378	CHEBI:64674	PHOOA-PE	1,2-diacyl-sn-glycero-3-phosphoethanolamine
CHEBI:188428	CHEBI:25698	3-hydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate	ether
CHEBI:188440	CHEBI:58342	3-(2-aminophenyl)succinyl-CoA(5-)	acyl-CoA(4-)
CHEBI:188441	CHEBI:58342	2-(2-aminophenyl)succinyl-CoA(5-)	acyl-CoA(4-)
CHEBI:188442	CHEBI:58342	(2-aminobenzyl)malonyl-CoA(5-)	acyl-CoA(4-)
CHEBI:188454	CHEBI:35358	E7820(1-)	sulfonamide
CHEBI:188502	CHEBI:28872	2-methylbenzoyl-CoA(4-)	o-toluate
CHEBI:188934	CHEBI:35757	penilactone D(2-)	monocarboxylic acid anion
CHEBI:189046	CHEBI:15734	4-carboxybenzyl alcohol	primary alcohol
CHEBI:189059	CHEBI:58342	(R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5-)	acyl-CoA(4-)
CHEBI:189060	CHEBI:58342	(S)-2-benzoylsuccinyl-CoA(5-)	acyl-CoA(4-)
CHEBI:189148	CHEBI:35356	1-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2-triazadien-2-ium	dicarboximide
CHEBI:189232	CHEBI:17792	2,2-Dichloropropanoate	organohalogen compound
CHEBI:189232	CHEBI:33575	2,2-Dichloropropanoate	carboxylic acid
CHEBI:189412	CHEBI:37581	2-carboxy-L-lyxonolactone	gamma-lactone
CHEBI:189598	CHEBI:58168	LPC(22:3)	1-O-acyl-sn-glycero-3-phosphocholine
CHEBI:189600	CHEBI:58168	LPC(24:2)	1-O-acyl-sn-glycero-3-phosphocholine
CHEBI:189640	CHEBI:83228	alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-L-Fuc-L-Thr residue	L-alpha-amino acid residue
CHEBI:189641	CHEBI:83228	alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-L-Fuc-L-Ser residue	L-alpha-amino acid residue
CHEBI:189643	CHEBI:83228	alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-L-Fuc-L-Ser residue	L-alpha-amino acid residue
CHEBI:189644	CHEBI:83228	alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-L-Fuc-L-Thr residue	L-alpha-amino acid residue
CHEBI:190127	CHEBI:4209	alpha-D-mannose 1,6-bisphosphate(4-)	D-mannose 1,6-bisphosphate
CHEBI:190141	CHEBI:73359	4-methylammoniobutanal	alpha-CH2-containing aldehyde
CHEBI:190190	CHEBI:58168	LPC(24:5)	1-O-acyl-sn-glycero-3-phosphocholine
CHEBI:190192	CHEBI:58168	LPC(24:4)	1-O-acyl-sn-glycero-3-phosphocholine
CHEBI:190201	CHEBI:57643	PC(22:5/22:6)	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:190289	CHEBI:33566	3-hydroxyhispidin(1-)	catechols
CHEBI:190290	CHEBI:33566	(E)-caffeoylpyruvate	catechols
CHEBI:190291	CHEBI:33566	4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate	catechols
CHEBI:190400	CHEBI:35757	trihazone A(2-)	monocarboxylic acid anion
CHEBI:19083	CHEBI:25964	1-phenanthryl sulfate	phenanthryl monosulfate
CHEBI:190958	CHEBI:57643	1-palmitoyl-2-lauroyl-sn-glycero-3-phosphorylcholine	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:191199	CHEBI:140284	N-(ADP-alpha-D-ribosyl)-dTMP(3-) residue	deoxyribonucleotide(1-) residue
CHEBI:191258	CHEBI:28863	3',4',5'-pentahydroxyflavanone	flavanones
CHEBI:191289	CHEBI:29089	18:3-16:3-PA	1,2-diacyl-sn-glycerol 3-phosphate
CHEBI:191304	CHEBI:17517	16:0-t16:1-PG	phosphatidylglycerol
CHEBI:191318	CHEBI:17517	18:0-t16:1-PG	phosphatidylglycerol
CHEBI:191321	CHEBI:18303	16:0-18:3-PS	phosphatidyl-L-serine
CHEBI:191333	CHEBI:18303	18:2-18:3-PS	phosphatidyl-L-serine
CHEBI:191334	CHEBI:18303	18:2-18:2-PS	phosphatidyl-L-serine
CHEBI:191335	CHEBI:18303	18:0-18:3-PS	phosphatidyl-L-serine
CHEBI:191345	CHEBI:18303	20:3-18:3-PS	phosphatidyl-L-serine
CHEBI:191346	CHEBI:18303	20:2-18:3-PS	phosphatidyl-L-serine
CHEBI:191347	CHEBI:18303	20:1-18:3-PS	phosphatidyl-L-serine
CHEBI:191348	CHEBI:18303	20:0-18:3-PS	phosphatidyl-L-serine
CHEBI:191349	CHEBI:18303	20:0-18:2-PS	phosphatidyl-L-serine
CHEBI:191357	CHEBI:18303	20:0-18:1-PS	phosphatidyl-L-serine
CHEBI:191358	CHEBI:18303	22:0-18:3-PS	phosphatidyl-L-serine
CHEBI:191359	CHEBI:18303	22:0-18:2-PS	phosphatidyl-L-serine
CHEBI:191360	CHEBI:18303	22:0-18:1-PS	phosphatidyl-L-serine
CHEBI:191366	CHEBI:18303	22:1-18:3-PS	phosphatidyl-L-serine
CHEBI:191368	CHEBI:18303	24:0-18:2-PS	phosphatidyl-L-serine
CHEBI:191371	CHEBI:18303	24:0-18:3-PS	phosphatidyl-L-serine
CHEBI:191887	CHEBI:25698	3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate	ether
CHEBI:191931	CHEBI:58958	dextran sulfate anion	organosulfate oxoanion
CHEBI:192045	CHEBI:25698	Pigment A aglycone	ether
CHEBI:192363	CHEBI:83228	O-(ADP-D-ribosyl)-L-threonine(2-) residue	L-alpha-amino acid residue
CHEBI:192404	CHEBI:59554	3-propylphosphoenolpyruvate	medium-chain fatty acid
CHEBI:192408	CHEBI:17792	bromoacetate	organohalogen compound
CHEBI:192408	CHEBI:33575	bromoacetate	carboxylic acid
CHEBI:192497	CHEBI:47885	G[3'-5']pAp[3']	dinucleotide
CHEBI:192498	CHEBI:47885	U[3'-5']pAp[3']	dinucleotide
CHEBI:192513	CHEBI:35757	3'-dehydrocarminate(2-)	monocarboxylic acid anion
CHEBI:192518	CHEBI:76179	O-[S-(L-lysyl)pantetheine-4'-phosphoryl]-L-serine(1+) residue	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:192527	CHEBI:36683	ochratoxin alpha(1-)	organochlorine compound
CHEBI:192544	CHEBI:51353	N-carbamoyl-L-phenylalaninate	N-carbamoyl-L-alpha-amino acid
CHEBI:192553	CHEBI:132124	didemethylasterriquinone D(1-)	1,4-benzoquinones
CHEBI:192789	CHEBI:29067	(2R,3S)-piscidate	carboxylic acid anion
CHEBI:192790	CHEBI:29067	cimicifugate K	carboxylic acid anion
CHEBI:192791	CHEBI:29067	cimicifugate D	carboxylic acid anion
CHEBI:192792	CHEBI:29067	cimicifugate J	carboxylic acid anion
CHEBI:192793	CHEBI:29067	cimicifugate E	carboxylic acid anion
CHEBI:193005	CHEBI:65061	neoechinulin B (anion)	2,5-diketopiperazines
CHEBI:193013	CHEBI:65061	7-dimethylallyl neoechinulin B anion	2,5-diketopiperazines
CHEBI:193014	CHEBI:65061	7-dimethylallyl isoechinulin B anion	2,5-diketopiperazines
CHEBI:193026	CHEBI:65061	isoechinulin B anion	2,5-diketopiperazines
CHEBI:193037	CHEBI:33820	alpha-L-iduronate	iduronate
CHEBI:193060	CHEBI:35267	aeruginascin(1-)	quaternary ammonium ion
CHEBI:193093	CHEBI:18308	sulfoacrylate	acrylic acid
CHEBI:193103	CHEBI:16307	petunidin 3-O-beta-D-glucoside betaine	anthocyanidin 3-O-beta-D-glucoside
CHEBI:193107	CHEBI:62031	N(6),N(6)-dimethyl-L-lysinium	polar amino acid zwitterion
CHEBI:193108	CHEBI:137419	N,N-dimethyl-cadaverine(+2)	secondary ammonium ion
CHEBI:193109	CHEBI:28965	(6S)-6-ammonio-3,3-dimethyl-2-oxoheptanedioate	dicarboxylic acid dianion
CHEBI:193586	CHEBI:17087	Acetyl-methylcholine	ketone
CHEBI:194027	CHEBI:76179	O-[S-((2S)-5,5-dimethylpipecolyl)pantetheine-4'-phosphoryl]-L-serine residue zwitterion	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:194080	CHEBI:91007	Diazo-2,tetrapotassium salt	aromatic carboxylate
CHEBI:194084	CHEBI:58958	8-O-sulfo-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-)	organosulfate oxoanion
CHEBI:194090	CHEBI:26911	pre-flavunoidine(2+)	oxolane
CHEBI:194091	CHEBI:26911	flavunoidine(2+)	oxolane
CHEBI:194243	CHEBI:32955	(10R,11R)-epoxy-(9S)-hydroxy-(12Z)-octadecenoate(1-)	epoxide
CHEBI:194444	CHEBI:35489	4'-phosphopantetheinyl-CoA disulfide(6-)	organic disulfide
CHEBI:194504	CHEBI:37581	(11R)-carlactonoate	gamma-lactone
CHEBI:194707	CHEBI:57643	2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:19761	CHEBI:25964	2-phenanthryl sulfate	phenanthryl monosulfate
CHEBI:19963	CHEBI:22493	3-aminobenzenesulfonate	aminobenzenesulfonate
CHEBI:20177	CHEBI:25798	3-oxopentanoate	oxopentanoates
CHEBI:20185	CHEBI:25964	3-phenanthryl sulfate	phenanthryl monosulfate
CHEBI:20313	CHEBI:22493	4-aminobenzenesulfonate	aminobenzenesulfonate
CHEBI:20470	CHEBI:25964	4-phenanthryl sulfate	phenanthryl monosulfate
CHEBI:20479	CHEBI:33554	(5-oxo-2-sulfonato-2,5-dihydrofuran-2-yl)acetate	organosulfonate oxoanion
CHEBI:20479	CHEBI:50523	(5-oxo-2-sulfonato-2,5-dihydrofuran-2-yl)acetate	butenolide
CHEBI:20832	CHEBI:25964	9-phenanthryl sulfate	phenanthryl monosulfate
CHEBI:21040	CHEBI:35385	D-idarate(2-)	idarate(2-)
CHEBI:21100	CHEBI:35389	D-altrarate(1-)	altrarate(1-)
CHEBI:21291	CHEBI:24115	L-fuconate	fuconate
CHEBI:21332	CHEBI:35385	L-idarate(2-)	idarate(2-)
CHEBI:21338	CHEBI:33820	aldehydo-L-iduronate	iduronate
CHEBI:21397	CHEBI:35389	L-altrarate(1-)	altrarate(1-)
CHEBI:224037	CHEBI:59814	3-sulfinato-L-alaninate(2-)	L-alpha-amino acid anion
CHEBI:23715	CHEBI:37143	difluoroacetate	organofluorine compound
CHEBI:24796	CHEBI:24279	indolylmethylglucosinolate	glucosinolate
CHEBI:251408	CHEBI:33853	edrophonium	phenols
CHEBI:25482	CHEBI:35757	naphthoate	monocarboxylic acid anion
CHEBI:2627	CHEBI:35267	ambenonium	quaternary ammonium ion
CHEBI:26376	CHEBI:38793	4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate	pteroate
CHEBI:26457	CHEBI:35757	1-pyrrolinecarboxylate	monocarboxylic acid anion
CHEBI:27475	CHEBI:28034	cyanidin 3-O-beta-D-galactoside	beta-D-galactoside
CHEBI:281056	CHEBI:55504	loracarbef anion	carbacephem
CHEBI:28146	CHEBI:27345	L-xylonate	xylonate
CHEBI:28426	CHEBI:22798	cyanidin 3-O-beta-D-glucoside	beta-D-glucoside
CHEBI:28644	CHEBI:25798	2-oxopentanoate	oxopentanoates
CHEBI:28781	CHEBI:16385	1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine	organic sulfide
CHEBI:2914	CHEBI:35267	atracurium	quaternary ammonium ion
CHEBI:29193	CHEBI:33264	oxide(.1-)	monoatomic oxygen
CHEBI:29239	CHEBI:33251	hydride	monoatomic hydrogen
CHEBI:29240	CHEBI:33268	nitride(3-)	monoatomic nitrogen
CHEBI:29275	CHEBI:33266	dinitrogen(2+)	diatomic nitrogen
CHEBI:29276	CHEBI:33266	dinitrogen(.1+)	diatomic nitrogen
CHEBI:29277	CHEBI:33266	dinitride(2-)	diatomic nitrogen
CHEBI:29278	CHEBI:33266	dinitride(4-)	diatomic nitrogen
CHEBI:29316	CHEBI:33411	sulfide(.1-)	monoatomic sulfur
CHEBI:29352	CHEBI:33268	nitrogen(1+)	monoatomic nitrogen
CHEBI:29356	CHEBI:33264	oxide(2-)	monoatomic oxygen
CHEBI:29371	CHEBI:33263	dioxygen(2+)	diatomic oxygen
CHEBI:29372	CHEBI:33263	dioxygen(.1+)	diatomic oxygen
CHEBI:29395	CHEBI:33412	disulfide(.1-)	diatomic sulfur
CHEBI:29396	CHEBI:33412	disulfide(2-)	diatomic sulfur
CHEBI:29397	CHEBI:33412	disulfur(.1+)	diatomic sulfur
CHEBI:29398	CHEBI:33413	trisulfide(2-)	triatomic sulfur
CHEBI:29399	CHEBI:33413	trisulfide(.1-)	triatomic sulfur
CHEBI:29400	CHEBI:33413	trisulfur(2+)	triatomic sulfur
CHEBI:29402	CHEBI:33414	tetrasulfur(2+)	tetraatomic sulfur
CHEBI:29403	CHEBI:33414	tetrasulfide(2-)	tetraatomic sulfur
CHEBI:29413	CHEBI:33435	dichloride(.1-)	diatomic chlorine
CHEBI:29419	CHEBI:33435	dichlorine(.1+)	diatomic chlorine
CHEBI:29434	CHEBI:33419	carbide(4-)	monoatomic carbon
CHEBI:29435	CHEBI:33419	carbide(1-)	monoatomic carbon
CHEBI:29436	CHEBI:33419	carbon(1+)	monoatomic carbon
CHEBI:29450	CHEBI:36868	hexanitride(.1-)	hexaatomic nitrogen
CHEBI:29560	CHEBI:22798	cyanidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:29675	CHEBI:46633	SM-17466	carbapenems
CHEBI:29752	CHEBI:35827	arsenide(3-)	monoatomic arsenic
CHEBI:29832	CHEBI:33411	sulfur(1+)	monoatomic sulfur
CHEBI:29912	CHEBI:35769	(SPY-5)-pentaoxoiodate(3-)	pentaoxoiodate(3-)
CHEBI:29930	CHEBI:29258	trioxidophosphate(.2-)	dihydrogenphosphite
CHEBI:29959	CHEBI:36173	quinolinate(2-)	pyridinedicarboxylate
CHEBI:29985	CHEBI:62031	L-glutamate(1-)	polar amino acid zwitterion
CHEBI:29988	CHEBI:59814	L-glutamate(2-)	L-alpha-amino acid anion
CHEBI:29991	CHEBI:59869	L-aspartate(1-)	L-alpha-amino acid zwitterion
CHEBI:29991	CHEBI:62031	L-aspartate(1-)	polar amino acid zwitterion
CHEBI:29993	CHEBI:59814	L-aspartate(2-)	L-alpha-amino acid anion
CHEBI:30074	CHEBI:36889	dibromine(.1+)	diatomic bromine
CHEBI:30075	CHEBI:36889	dibromide(.1-)	diatomic bromine
CHEBI:30081	CHEBI:33420	dicarbide(2-)	diatomic carbon
CHEBI:30082	CHEBI:33420	dicarbide(1.-)	diatomic carbon
CHEBI:30084	CHEBI:33420	dicarbon(1+)	diatomic carbon
CHEBI:30117	CHEBI:33630	dialuminide(1-)	diatomic aluminium
CHEBI:30120	CHEBI:33432	chlorine(1+)	monoatomic chlorine
CHEBI:30150	CHEBI:33627	aluminium(1+)	monoatomic aluminium
CHEBI:30151	CHEBI:33627	aluminide(1-)	monoatomic aluminium
CHEBI:30165	CHEBI:33610	boron(1+)	monoatomic boron
CHEBI:30166	CHEBI:33610	boride(1-)	monoatomic boron
CHEBI:30167	CHEBI:33610	boride(3-)	monoatomic boron
CHEBI:30168	CHEBI:33610	boron(3+)	monoatomic boron
CHEBI:30221	CHEBI:33315	helium(.1+)	monoatomic helium
CHEBI:30234	CHEBI:18140	fluoridohydrogen(.1+)	hydrogen halide
CHEBI:30237	CHEBI:36890	difluorine(.1+)	diatomic fluorine
CHEBI:30238	CHEBI:36890	difluoride(.1-)	diatomic fluorine
CHEBI:30240	CHEBI:36895	fluorine(1+)	monoatomic fluorine
CHEBI:30367	CHEBI:38596	pyrazol-1-ide	pyrazolide
CHEBI:30370	CHEBI:35439	(TBPY-5)-pentacyanonickelate(3-)	pentacyanonickelate(3-)
CHEBI:30371	CHEBI:35439	(SPY-5)-pentacyanonickelate(3-)	pentacyanonickelate(3-)
CHEBI:30407	CHEBI:59814	4-phospho-L-aspartate	L-alpha-amino acid anion
CHEBI:30433	CHEBI:37115	indium(1+)	monoatomic indium
CHEBI:30439	CHEBI:37109	thallium(3+)	monoatomic thallium
CHEBI:30453	CHEBI:60271	telluride(2-)	tellurium ion
CHEBI:30502	CHEBI:39132	beryllium(2+)	beryllium cation
CHEBI:30503	CHEBI:39132	beryllium(1+)	beryllium cation
CHEBI:30624	CHEBI:33821	D-mannuronate	mannuronate
CHEBI:30647	CHEBI:48997	hexaaquairon(2+)	hexaaquairon
CHEBI:30648	CHEBI:48997	hexaaquairon(3+)	hexaaquairon
CHEBI:31350	CHEBI:33554	carbazochrome sodium sulfonate	organosulfonate oxoanion
CHEBI:31442	CHEBI:22798	cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:31463	CHEBI:22798	delphinidin 3-O-beta-D-glucoside	beta-D-glucoside
CHEBI:31696	CHEBI:62081	indocyanine green	1,1-diunsubstituted alkanesulfonate
CHEBI:31799	CHEBI:22798	malvidin 3-O-beta-D-glucoside	beta-D-glucoside
CHEBI:31812	CHEBI:35757	meglumine amidotrizoate	monocarboxylic acid anion
CHEBI:31879	CHEBI:23315	N,N,N-Trimethylserotonin	citraconoyl group
CHEBI:31965	CHEBI:22798	pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:31967	CHEBI:22798	pelargonidin 3-O-beta-D-glucoside	beta-D-glucoside
CHEBI:31969	CHEBI:22798	pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside	beta-D-glucoside
CHEBI:31985	CHEBI:22798	petunidin 3-O-beta-D-glucoside	beta-D-glucoside
CHEBI:32172	CHEBI:13248	Suplatast tosilate	anilide
CHEBI:32373	CHEBI:23399	4-coumarate	coumarate
CHEBI:3246	CHEBI:17087	Butyro-betaine	ketone
CHEBI:32551	CHEBI:62031	L-lysinium(1+)	polar amino acid zwitterion
CHEBI:32663	CHEBI:15341	tamoxifen N-beta-D-glucosiduronic acid	beta-D-glucosiduronic acid
CHEBI:32671	CHEBI:50539	iminodimethanethiolate	thiolate anion
CHEBI:32804	CHEBI:33853	4-hydroxymandelate	phenols
CHEBI:32814	CHEBI:58865	N-carbamoyl-L-aspartate(2-)	N-carbamoyl-L-alpha-amino acid anion
CHEBI:32820	CHEBI:32832	L-threoninate	threoninate
CHEBI:32822	CHEBI:32833	L-threoninium	threoninium
CHEBI:32827	CHEBI:32832	D-threoninate	threoninate
CHEBI:32828	CHEBI:32833	D-threoninium	threoninium
CHEBI:33116	CHEBI:36897	iodine(1+)	monoatomic iodine
CHEBI:33215	CHEBI:33255	ethylmercurithiosalicylate	alkylmercury compound
CHEBI:33316	CHEBI:33315	helium(2+)	monoatomic helium
CHEBI:33467	CHEBI:33466	phosphorus(1+)	monoatomic phosphorus
CHEBI:33468	CHEBI:33466	phosphide(3-)	monoatomic phosphorus
CHEBI:33469	CHEBI:33466	phosphide(1-)	monoatomic phosphorus
CHEBI:33476	CHEBI:33475	diphosphorus(.1+)	diatomic phosphorus
CHEBI:33479	CHEBI:33475	diphosphide(2-)	diatomic phosphorus
CHEBI:33480	CHEBI:33475	diphosphide(.1-)	diatomic phosphorus
CHEBI:3350	CHEBI:32877	candicine	primary amine
CHEBI:33524	CHEBI:33523	hydroxidodioxidoperoxidosulfate(1-)	peroxysulfate(1-)
CHEBI:33525	CHEBI:33523	(dioxidanido)trioxidosulfate(1-)	peroxysulfate(1-)
CHEBI:33539	CHEBI:33541	hydroxidodioxidosulfidosulfate(1-)	thiosulfate(1-)
CHEBI:33542	CHEBI:33541	trioxidosulfanidosulfate(1-)	thiosulfate(1-)
CHEBI:33621	CHEBI:33630	dialuminium(1+)	diatomic aluminium
CHEBI:33682	CHEBI:33687	dihelium(1+)	diatomic helium
CHEBI:33684	CHEBI:33687	dihelium(2+)	diatomic helium
CHEBI:33686	CHEBI:33687	dihelide(1-)	diatomic helium
CHEBI:33722	CHEBI:49883	tetra-mu3-sulfido-tetrairon(2+)	tetra-mu3-sulfido-tetrairon
CHEBI:33723	CHEBI:49883	tetra-mu3-sulfido-tetrairon(1+)	tetra-mu3-sulfido-tetrairon
CHEBI:33724	CHEBI:49883	tetra-mu3-sulfido-tetrairon(3+)	tetra-mu3-sulfido-tetrairon
CHEBI:33817	CHEBI:33816	L-guluronate	guluronate
CHEBI:33912	CHEBI:33730	mu4-sulfido-quadro-tetracopper(2+)	mu4-sulfido-quadro-tetracopper
CHEBI:33959	CHEBI:33730	mu4-sulfido-quadro-tetracopper(3+)	mu4-sulfido-quadro-tetracopper
CHEBI:33960	CHEBI:33730	mu4-sulfido-quadro-tetracopper(4+)	mu4-sulfido-quadro-tetracopper
CHEBI:33961	CHEBI:33730	mu4-sulfido-quadro-tetracopper(5+)	mu4-sulfido-quadro-tetracopper
CHEBI:33962	CHEBI:33730	mu4-sulfido-quadro-tetracopper(6+)	mu4-sulfido-quadro-tetracopper
CHEBI:34082	CHEBI:16110	{1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho}choline	1,2-diacyl-sn-glycero-3-phosphocholine(1+)
CHEBI:34084	CHEBI:57643	1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycerol 3-(2-trimethylaminoethylphosphonate)	1,2-diacyl-sn-glycero-3-phosphocholine
CHEBI:34110	CHEBI:17810	1-O-[(Z)-tetradec-1-enyl]-2-O-[(Z)-octadec-9-enoyl]-sn-glycero-3-phosphocholine	1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine
CHEBI:34777	CHEBI:16670	Glutathione episulfonium ion	peptide
CHEBI:35372	CHEBI:24115	D-fuconate	fuconate
CHEBI:35773	CHEBI:35769	(TBPY-5)-pentaoxoiodate(3-)	pentaoxoiodate(3-)
CHEBI:35828	CHEBI:35827	arsenic(3+)	monoatomic arsenic
CHEBI:35829	CHEBI:35827	arsenic(5+)	monoatomic arsenic
CHEBI:35835	CHEBI:35833	tetraarsenic(1+)	tetraatomic arsenic
CHEBI:35869	CHEBI:35831	diarsenic(1+)	diatomic arsenic
CHEBI:35898	CHEBI:35894	tetraphosphorus(1+)	tetraatomic phosphorus
CHEBI:35900	CHEBI:36029	but-3-enoate	butenoate
CHEBI:35905	CHEBI:33632	cyclo-tetraaluminide(2-)	tetraatomic aluminium
CHEBI:35943	CHEBI:35944	dioxidosulfanidosulfate(1-)	thiosulfite(1-)
CHEBI:35945	CHEBI:35944	hydroxidooxidosulfidosulfate(1-)	thiosulfite(1-)
CHEBI:35997	CHEBI:36069	tridecaaluminate(1-)	tridecaatomic aluminium
CHEBI:36029	CHEBI:58951	butenoate	short-chain fatty acid anion
CHEBI:36070	CHEBI:33631	cyclo-trialuminide(1-)	triatomic aluminium
CHEBI:36071	CHEBI:33631	cyclo-trialuminium(1+)	triatomic aluminium
CHEBI:36107	CHEBI:25482	2-naphthoate	naphthoate
CHEBI:36144	CHEBI:26355	ferriheme b	heme b
CHEBI:36167	CHEBI:36173	dipicolinate(2-)	pyridinedicarboxylate
CHEBI:36173	CHEBI:28965	pyridinedicarboxylate	dicarboxylic acid dianion
CHEBI:36183	CHEBI:24479	ferriheme a	heme a
CHEBI:36258	CHEBI:36029	but-2-enoate	butenoate
CHEBI:36298	CHEBI:25482	1-naphthoate	naphthoate
CHEBI:36529	CHEBI:136397	aristolochene	(2xi)-3-deoxy-7-O-phosphonato-beta-D-threo-hept-6-ulopyranosonate
CHEBI:36531	CHEBI:38427	(2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate	2,3,5-trichloro-cis,cis-muconate(1-)
CHEBI:36781	CHEBI:23763	1-pyrrolinium	pyrroline
CHEBI:36898	CHEBI:36891	diiodide(.1-)	diatomic iodine
CHEBI:36899	CHEBI:36891	diiodine(.1+)	diatomic iodine
CHEBI:36900	CHEBI:36896	bromine(1+)	monoatomic bromine
CHEBI:37078	CHEBI:38793	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate	pteroate
CHEBI:3743	CHEBI:33308	clidinium	carboxylic ester
CHEBI:37535	CHEBI:37539	D-mannarate(2-)	mannarate(2-)
CHEBI:37536	CHEBI:37539	L-mannarate(2-)	mannarate(2-)
CHEBI:37543	CHEBI:37540	D-arabinarate(2-)	arabinarate(2-)
CHEBI:37544	CHEBI:37540	L-arabinarate(2-)	arabinarate(2-)
CHEBI:37546	CHEBI:37545	D-altrarate(2-)	altrarate(2-)
CHEBI:37547	CHEBI:37545	L-altrarate(2-)	altrarate(2-)
CHEBI:37628	CHEBI:33856	desmosine	aromatic amino acid
CHEBI:37629	CHEBI:83228	desmosine residue	L-alpha-amino acid residue
CHEBI:37990	CHEBI:37987	Cy3-bifunctional dye zwitterion	Cy3 dye
CHEBI:38039	CHEBI:37989	Cy5-bifunctional dye	Cy5 dye
CHEBI:38045	CHEBI:37987	Cy3-monofunctional dye(1-)	Cy3 dye
CHEBI:38046	CHEBI:37987	Cy3-bifunctional dye(1-)	Cy3 dye
CHEBI:38047	CHEBI:37989	Cy5-monofunctional dye(1-)	Cy5 dye
CHEBI:38412	CHEBI:38424	2,4-dichloromuconate(2-)	dichloromuconate(2-)
CHEBI:38424	CHEBI:133492	dichloromuconate(2-)	polyunsaturated dicarboxylic acid dianion
CHEBI:38425	CHEBI:38424	2,5-dichloromuconate(2-)	dichloromuconate(2-)
CHEBI:38426	CHEBI:38427	(2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate	2,3,5-trichloro-cis,cis-muconate(1-)
CHEBI:38600	CHEBI:38596	4H-pyrazol-4-ide	pyrazolide
CHEBI:38707	CHEBI:38708	3-carboxy-3-mercaptopropanoate	thiomalate(1-)
CHEBI:38709	CHEBI:38708	1,2-dicarboxyethanethiolate	thiomalate(1-)
CHEBI:38710	CHEBI:28965	thiomalate(2-)	dicarboxylic acid dianion
CHEBI:38712	CHEBI:38710	2-mercaptosuccinate	thiomalate(2-)
CHEBI:38714	CHEBI:38710	3-carboxy-2-sulfidopropanoate	thiomalate(2-)
CHEBI:39045	CHEBI:62081	2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate	1,1-diunsubstituted alkanesulfonate
CHEBI:39051	CHEBI:28965	2,2'-[(2-azanidyl-2-oxoethyl)imino]diacetate(3-)	dicarboxylic acid dianion
CHEBI:39055	CHEBI:39056	2,2'-[(carboxymethyl)imino]diacetate	nitrilotriacetate(2-)
CHEBI:39057	CHEBI:39056	2,2',2''-ammoniotriacetate	nitrilotriacetate(2-)
CHEBI:39059	CHEBI:37143	10-(perfluorobutyl)decyl phosphatidylcholine	organofluorine compound
CHEBI:39062	CHEBI:62081	2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate	1,1-diunsubstituted alkanesulfonate
CHEBI:39150	CHEBI:25798	4-oxopentanoate	oxopentanoates
CHEBI:3926	CHEBI:17087	Crotono-betaine	ketone
CHEBI:3978	CHEBI:22798	cyanin	beta-D-glucoside
CHEBI:41934	CHEBI:35267	decamethonium	quaternary ammonium ion
CHEBI:42037	CHEBI:37142	4'-deoxy-4'-iododoxorubicinium	organoiodine compound
CHEBI:42917	CHEBI:58958	HP_dp02_0008(3-)	organosulfate oxoanion
CHEBI:42917	CHEBI:61660	HP_dp02_0008(3-)	organic sulfamate oxoanion
CHEBI:43053	CHEBI:35757	heparin disaccharide I-S(4-)	monocarboxylic acid anion
CHEBI:43053	CHEBI:58958	heparin disaccharide I-S(4-)	organosulfate oxoanion
CHEBI:43053	CHEBI:61660	heparin disaccharide I-S(4-)	organic sulfamate oxoanion
CHEBI:43074	CHEBI:29067	(3S)-3-hydroxy-3-methylglutaryl-CoA(5-)	carboxylic acid anion
CHEBI:44337	CHEBI:59874	N-acetyl-L-glutamate(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:44785	CHEBI:33263	peroxide	diatomic oxygen
CHEBI:45147	CHEBI:50496	pentasulfide(2-)	pentaatomic sulfur
CHEBI:45652	CHEBI:35267	succinylcholine	quaternary ammonium ion
CHEBI:45912	CHEBI:15243	D-threonate	threonate
CHEBI:46642	CHEBI:33531	D-galactosaminate	galactosaminate
CHEBI:46839	CHEBI:36173	lutidinate(2-)	pyridinedicarboxylate
CHEBI:46840	CHEBI:46841	2-carboxypyridine-4-carboxylate	lutidinate(1-)
CHEBI:46841	CHEBI:46827	lutidinate(1-)	carboxypyridinecarboxylate
CHEBI:46843	CHEBI:46841	4-carboxypyridine-2-carboxylate	lutidinate(1-)
CHEBI:46861	CHEBI:36173	cinchomeronate(2-)	pyridinedicarboxylate
CHEBI:46862	CHEBI:46827	cinchomeronate(1-)	carboxypyridinecarboxylate
CHEBI:46863	CHEBI:46862	4-carboxypyridine-3-carboxylate	cinchomeronate(1-)
CHEBI:46864	CHEBI:46862	3-carboxypyridine-4-carboxylate	cinchomeronate(1-)
CHEBI:46870	CHEBI:46827	isocinchomeronate(1-)	carboxypyridinecarboxylate
CHEBI:46871	CHEBI:36173	isocinchomeronate(2-)	pyridinedicarboxylate
CHEBI:46872	CHEBI:46870	5-carboxypyridine-2-carboxylate	isocinchomeronate(1-)
CHEBI:46873	CHEBI:46870	6-carboxypyridine-3-carboxylate	isocinchomeronate(1-)
CHEBI:46877	CHEBI:36173	dinicotinate(2-)	pyridinedicarboxylate
CHEBI:46911	CHEBI:62031	L-ornithinium(1+)	polar amino acid zwitterion
CHEBI:46937	CHEBI:29347	QX-314	monocarboxylic acid amide
CHEBI:4706	CHEBI:35267	doxacurium	quaternary ammonium ion
CHEBI:4727	CHEBI:16670	dynorphin A	peptide
CHEBI:47869	CHEBI:35757	thioglycolate(2-)	monocarboxylic acid anion
CHEBI:47927	CHEBI:23399	3-coumarate	coumarate
CHEBI:48998	CHEBI:48997	hexaaquairon(1+)	hexaaquairon
CHEBI:49107	CHEBI:65296	thiamine(2+)	primary ammonium ion
CHEBI:49470	CHEBI:33627	aluminium(3+)	monoatomic aluminium
CHEBI:49547	CHEBI:60270	caesium(1+)	caesium ion
CHEBI:49664	CHEBI:37115	indium(3+)	monoatomic indium
CHEBI:49920	CHEBI:37109	thallium(1+)	monoatomic thallium
CHEBI:49988	CHEBI:49987	krypton(.1+)	monoatomic krypton
CHEBI:49989	CHEBI:49985	xenon(.1+)	monoatomic xenon
CHEBI:49992	CHEBI:49990	argon(.1+)	monoatomic argon
CHEBI:49996	CHEBI:49994	neon(.1+)	monoatomic neon
CHEBI:51246	CHEBI:35267	propidium	quaternary ammonium ion
CHEBI:51461	CHEBI:32876	SYBR Green I	tertiary amine
CHEBI:51467	CHEBI:32876	PicoGreen	tertiary amine
CHEBI:51811	CHEBI:51356	ticarcillin(2-)	penicillinate anion
CHEBI:51897	CHEBI:51356	carbenicillin(2-)	penicillinate anion
CHEBI:51898	CHEBI:37989	C5-indocyanine	Cy5 dye
CHEBI:51975	CHEBI:63296	DY-682	DY-682(2-)
CHEBI:52027	CHEBI:37989	dilC18(5) dye	Cy5 dye
CHEBI:52029	CHEBI:37987	dilC18(3) dye	Cy3 dye
CHEBI:52032	CHEBI:37987	diOC18(3) dye	Cy3 dye
CHEBI:52131	CHEBI:37989	mitoTracker Deep Red 633	Cy5 dye
CHEBI:52220	CHEBI:52888	PoPo-3	PoPo-3(4+)
CHEBI:52436	CHEBI:51356	sulbenicillin(2-)	penicillinate anion
CHEBI:52476	CHEBI:50526	sodium phenolate	phenolate
CHEBI:52589	CHEBI:64590	1-lyso-2-alkylphosphatidylcholine	monoalkyl-sn-glycero-3-phosphocholine
CHEBI:52672	CHEBI:52895	rhodamine 6G	rhodamine 6G(1+)
CHEBI:52740	CHEBI:33554	DY-782(2-)	organosulfonate oxoanion
CHEBI:52783	CHEBI:32876	2-[4-(dimethylamino)styryl]-1-methylpyridinium	tertiary amine
CHEBI:52790	CHEBI:33554	Alexa Fluor 480(3-)	organosulfonate oxoanion
CHEBI:52816	CHEBI:32876	4-(4-dihexadecylaminostyryl)-N-methylpyridium	tertiary amine
CHEBI:52826	CHEBI:24459	7-methylguanosin-5'-yl group	guanosyl group
CHEBI:52844	CHEBI:37141	ethyl eosin anion	organobromine compound
CHEBI:52850	CHEBI:32876	FM 1-43(2+)	tertiary amine
CHEBI:52850	CHEBI:35267	FM 1-43(2+)	quaternary ammonium ion
CHEBI:52856	CHEBI:32876	FM 4-64(2+)	tertiary amine
CHEBI:52856	CHEBI:35267	FM 4-64(2+)	quaternary ammonium ion
CHEBI:52861	CHEBI:33554	pyranine(3-)	organosulfonate oxoanion
CHEBI:52863	CHEBI:35267	JOJO-1(4+)	quaternary ammonium ion
CHEBI:52864	CHEBI:32876	exciton(1+)	tertiary amine
CHEBI:52865	CHEBI:32876	LDS 751(1+)	tertiary amine
CHEBI:52867	CHEBI:35267	LoLo-1(4+)	quaternary ammonium ion
CHEBI:52868	CHEBI:33554	lucifer yellow anion	organosulfonate oxoanion
CHEBI:52870	CHEBI:32876	malachite green isothiocyanate cation	tertiary amine
CHEBI:52873	CHEBI:33554	NIR-1(2-)	organosulfonate oxoanion
CHEBI:52874	CHEBI:33554	NIR-2(2-)	organosulfonate oxoanion
CHEBI:52875	CHEBI:33554	NIR-3(2-)	organosulfonate oxoanion
CHEBI:52876	CHEBI:33554	NIR-4(2-)	organosulfonate oxoanion
CHEBI:52885	CHEBI:35267	Po-Pro-1(2+)	quaternary ammonium ion
CHEBI:52886	CHEBI:35267	Po-Pro-3(2+)	quaternary ammonium ion
CHEBI:52887	CHEBI:35267	PoPo-1(4+)	quaternary ammonium ion
CHEBI:52888	CHEBI:35267	PoPo-3(4+)	quaternary ammonium ion
CHEBI:52904	CHEBI:35757	rose bengal(2-)	monocarboxylic acid anion
CHEBI:52907	CHEBI:33554	SNIR4(2-)	organosulfonate oxoanion
CHEBI:52923	CHEBI:16038	texas red DHPE(1-)	phosphatidylethanolamine
CHEBI:52929	CHEBI:35267	ToTo-1(4+)	quaternary ammonium ion
CHEBI:52936	CHEBI:35267	Yo-Pro-1(2+)	quaternary ammonium ion
CHEBI:52946	CHEBI:35267	Yo-Pro-3(2+)	quaternary ammonium ion
CHEBI:52947	CHEBI:35267	YoYo-1(4+)	quaternary ammonium ion
CHEBI:52953	CHEBI:33554	Alexa Fluor 488 para-isomer(2-)	organosulfonate oxoanion
CHEBI:52954	CHEBI:33554	Alexa Fluor 488 meta-isomer(2-)	organosulfonate oxoanion
CHEBI:52955	CHEBI:33554	Alexa Fluor 610-X(2-)	organosulfonate oxoanion
CHEBI:52960	CHEBI:33308	3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate	carboxylic ester
CHEBI:52967	CHEBI:33554	magnesium orange G(2-)	organosulfonate oxoanion
CHEBI:52989	CHEBI:37142	4-hydroxy-3-iodophenylpyruvate	organoiodine compound
CHEBI:53071	CHEBI:24148	L-galactonate	galactonate
CHEBI:53733	CHEBI:33554	remazole orange-3R(2-)	organosulfonate oxoanion
CHEBI:53734	CHEBI:33554	remazole black-GR (4-)	organosulfonate oxoanion
CHEBI:55334	CHEBI:22798	delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside	beta-D-glucoside
CHEBI:55335	CHEBI:22798	ternatin C5	beta-D-glucoside
CHEBI:55336	CHEBI:22798	delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside	beta-D-glucoside
CHEBI:55376	CHEBI:26355	ferriheme b(1-)	heme b
CHEBI:55448	CHEBI:35757	2-[1-({5-hydroxy-4-oxo-3-[2-(sulfonatooxy)phenyl]-4H-chromen-6-yl}oxy)-2-oxoethoxy]-3-oxopropanoate	monocarboxylic acid anion
CHEBI:55452	CHEBI:22798	genistin 4',6''-disulfate(2-)	beta-D-glucoside
CHEBI:55453	CHEBI:33554	genistein 4',7-disulfate(2-)	organosulfonate oxoanion
CHEBI:55455	CHEBI:22798	delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside	beta-D-glucoside
CHEBI:55456	CHEBI:22798	delphinidin 3,3',5-tri-O-glucoside	beta-D-glucoside
CHEBI:55533	CHEBI:37143	(S)-3-fluorolactate	organofluorine compound
CHEBI:57255	CHEBI:35757	5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide	monocarboxylic acid anion
CHEBI:57274	CHEBI:35757	3,5-dibromo-4-oxidobenzoate(2-)	monocarboxylic acid anion
CHEBI:57363	CHEBI:76187	gamma-linolenoyl-CoA(4-)	gamma-linolenoyl bioconjugate
CHEBI:57488	CHEBI:35757	hydrogen phosphonatoacetate(2-)	monocarboxylic acid anion
CHEBI:57512	CHEBI:59876	N-acyl-D-aspartate(2-)	N-acyl-D-alpha-amino acid anion
CHEBI:57551	CHEBI:51277	S-methyl 3-O-phosphonato-1-thio-D-glycerate(2-)	thioester
CHEBI:57557	CHEBI:35757	(R)-5-diphosphonatomevalonate(4-)	monocarboxylic acid anion
CHEBI:57558	CHEBI:32955	trans-2,3-epoxysuccinate(2-)	epoxide
CHEBI:57561	CHEBI:15243	L-threonate	threonate
CHEBI:57567	CHEBI:28965	N(6)-(1,2-dicarboxylatoethyl)-AMP(4-)	dicarboxylic acid dianion
CHEBI:57569	CHEBI:35757	2-dehydro-3-deoxy-6-phosphonato-D-gluconate(3-)	monocarboxylic acid anion
CHEBI:57626	CHEBI:22798	limonin 17-beta-D-glucoside(1-)	beta-D-glucoside
CHEBI:57641	CHEBI:36683	2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetate	organochlorine compound
CHEBI:57647	CHEBI:37142	3-(4-hydroxy-3,5-diiodophenyl)lactate	organoiodine compound
CHEBI:57658	CHEBI:147335	1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-)	1-phosphatidyl-1D-myo-inositol-3-phosphate anion derivative
CHEBI:57658	CHEBI:83191	1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-)	phosphatidylinositol bisphosphate(5-)
CHEBI:57709	CHEBI:35757	2-amino-3-oxo-4-(phosphonatooxy)butanoate	monocarboxylic acid anion
CHEBI:57806	CHEBI:58958	UDP-N-acetyl-D-galactosamine 4,6-bissulfate(4-)	organosulfate oxoanion
CHEBI:57813	CHEBI:139371	quercetin 3,3',7-trissulfate(3-)	aryl sulfate oxoanion
CHEBI:57818	CHEBI:28965	5,10-methylenetetrahydromethanopterin(3-)	dicarboxylic acid dianion
CHEBI:57836	CHEBI:147335	1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-)	1-phosphatidyl-1D-myo-inositol-3-phosphate anion derivative
CHEBI:57848	CHEBI:60251	1,4-diguanidiniumylbutane	guanidinium ion
CHEBI:57875	CHEBI:11502	2-acyl-sn-glycero-3-phosphocholine	2-acylglycerophosphocholine
CHEBI:57878	CHEBI:35757	2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-)	monocarboxylic acid anion
CHEBI:57878	CHEBI:58958	2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-)	organosulfate oxoanion
CHEBI:57892	CHEBI:35757	3-(dioxido-lambda(5)-azanylidene)propanoate(2-)	monocarboxylic acid anion
CHEBI:57897	CHEBI:35757	1-phosphonato-alpha-D-glucuronate(3-)	monocarboxylic acid anion
CHEBI:57903	CHEBI:35757	[1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3-)	monocarboxylic acid anion
CHEBI:57923	CHEBI:83191	1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-)	phosphatidylinositol bisphosphate(5-)
CHEBI:57935	CHEBI:139371	oxidized Watasenia luciferin(2-)	aryl sulfate oxoanion
CHEBI:57936	CHEBI:59874	N-acetyl-L-gamma-glutamyl phosphate(3-)	N-acyl-L-alpha-amino acid anion
CHEBI:57940	CHEBI:134249	3-sulfonatopyruvate(2-)	alkanesulfonate oxoanion
CHEBI:57940	CHEBI:35179	3-sulfonatopyruvate(2-)	2-oxo monocarboxylic acid anion
CHEBI:57999	CHEBI:28965	1-carboxylatovinyl carboxylatophosphonate(3-)	dicarboxylic acid dianion
CHEBI:58007	CHEBI:60251	streptomycin(3+)	guanidinium ion
CHEBI:58018	CHEBI:28965	N(5)-formyl-5,6,7,8-tetrahydromethanopterin(3-)	dicarboxylic acid dianion
CHEBI:58023	CHEBI:35179	(3,5-diiodo-4-oxidophenyl)pyruvate(2-)	2-oxo monocarboxylic acid anion
CHEBI:58033	CHEBI:35757	2-phosphonatoglycolate(3-)	monocarboxylic acid anion
CHEBI:58035	CHEBI:60251	1D-3-ammmonio-1-guanidiniumyl-1,3-dideoxy-scyllo-inositol(2+)	guanidinium ion
CHEBI:58081	CHEBI:35757	dTDP-D-galacturonate(3-)	monocarboxylic acid anion
CHEBI:58087	CHEBI:59874	N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:58102	CHEBI:58958	2-N,6-O-disulfonato-D-glucosamine(2-)	organosulfate oxoanion
CHEBI:58103	CHEBI:28965	5,6,7,8-tetrahydromethanopterin(3-)	dicarboxylic acid dianion
CHEBI:58107	CHEBI:16018	carboxylatoacetyl-[acyl-carrier protein]	acyl-[acyl-carrier protein]
CHEBI:58116	CHEBI:28965	5-methyl-5,6,7,8-tetrahydromethanopterin(3-)	dicarboxylic acid dianion
CHEBI:58145	CHEBI:60251	agmatinium(2+)	guanidinium ion
CHEBI:58150	CHEBI:35757	3-D-glucuronosyl-N(2),6-disulfonato-beta-D-glucosamine(3-)	monocarboxylic acid anion
CHEBI:58150	CHEBI:58958	3-D-glucuronosyl-N(2),6-disulfonato-beta-D-glucosamine(3-)	organosulfate oxoanion
CHEBI:58150	CHEBI:61660	3-D-glucuronosyl-N(2),6-disulfonato-beta-D-glucosamine(3-)	organic sulfamate oxoanion
CHEBI:58178	CHEBI:147334	1-phosphatidyl-1D-myo-inositol 4-phosphate(3-)	1-phosphatidyl-1D-myo-inositol anion derivative
CHEBI:58185	CHEBI:35757	2-carboxylato-D-arabinitol 1-phosphate(3-)	monocarboxylic acid anion
CHEBI:58186	CHEBI:35757	1-phosphonato-alpha-D-galacturonate(3-)	monocarboxylic acid anion
CHEBI:58188	CHEBI:58958	UDP-N-acetyl-D-galactosamine 4-sulfate(3-)	organosulfate oxoanion
CHEBI:5822	CHEBI:26819	Hymatoxin A	sulfuric ester
CHEBI:58229	CHEBI:139371	Watasenia luciferin(2-)	aryl sulfate oxoanion
CHEBI:58243	CHEBI:58958	5'-adenylyl sulfate(2-)	organosulfate oxoanion
CHEBI:58248	CHEBI:35757	2,3-bisphosphonato-D-glycerate(5-)	monocarboxylic acid anion
CHEBI:58254	CHEBI:139371	quercetin 3-sulfate(2-)	aryl sulfate oxoanion
CHEBI:58298	CHEBI:35757	6-phosphonato-2-dehydro-3-deoxy-D-galactate(3-)	monocarboxylic acid anion
CHEBI:58305	CHEBI:139371	quercetin 3,3'-bissulfate(3-)	aryl sulfate oxoanion
CHEBI:58308	CHEBI:35757	5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2-)	monocarboxylic acid anion
CHEBI:58339	CHEBI:58958	3'-phosphonato-5'-adenylyl sulfate(4-)	organosulfate oxoanion
CHEBI:58348	CHEBI:35179	3-[hydroxy(oxido)phosphoranyl]pyruvate(2-)	2-oxo monocarboxylic acid anion
CHEBI:58353	CHEBI:139371	quercetin-7-olate 3,4'-bissulfate(3-)	aryl sulfate oxoanion
CHEBI:58368	CHEBI:35757	8-phosphonato-3-deoxy-D-manno-oct-2-ulosonate(3-)	monocarboxylic acid anion
CHEBI:58381	CHEBI:35757	3-ADP-2-phosphoglycerate(5-)	monocarboxylic acid anion
CHEBI:58388	CHEBI:61660	heparan sulfate alpha-D-glucosaminide polyanion	organic sulfamate oxoanion
CHEBI:58394	CHEBI:35757	7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate	monocarboxylic acid anion
CHEBI:58403	CHEBI:37142	3,5,3'-triiodothyropyruvate	organoiodine compound
CHEBI:58443	CHEBI:28965	SAICAR(4-)	dicarboxylic acid dianion
CHEBI:58456	CHEBI:147334	1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-)	1-phosphatidyl-1D-myo-inositol anion derivative
CHEBI:58456	CHEBI:83191	1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-)	phosphatidylinositol bisphosphate(5-)
CHEBI:58509	CHEBI:26457	1-pyrroline-3-hydroxy-5-carboxylate	1-pyrrolinecarboxylate
CHEBI:58538	CHEBI:35179	(R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate	2-oxo monocarboxylic acid anion
CHEBI:58540	CHEBI:28965	(Kdo)2-lipid A(6-) (E. coli)	dicarboxylic acid dianion
CHEBI:58596	CHEBI:35757	coenzyme B(3-)	monocarboxylic acid anion
CHEBI:58605	CHEBI:60251	3''-adenylylstreptomycin(2+)	guanidinium ion
CHEBI:58613	CHEBI:35757	1-(2-carboxylatophenylamino)-1-deoxy-D-ribulose 5-phosphate(3-)	monocarboxylic acid anion
CHEBI:58683	CHEBI:134249	3-sulfonatolactate(2-)	alkanesulfonate oxoanion
CHEBI:58702	CHEBI:35757	phosphonatoenolpyruvate	monocarboxylic acid anion
CHEBI:58722	CHEBI:35757	N-acetylmuramate 6-phosphate	monocarboxylic acid anion
CHEBI:58737	CHEBI:35757	(R)-2-O-sulfonatolactate(2-)	monocarboxylic acid anion
CHEBI:58737	CHEBI:58958	(R)-2-O-sulfonatolactate(2-)	organosulfate oxoanion
CHEBI:58738	CHEBI:33554	(R)-3-sulfolactate	organosulfonate oxoanion
CHEBI:58738	CHEBI:35757	(R)-3-sulfolactate	monocarboxylic acid anion
CHEBI:58759	CHEBI:35757	6-phosphonatooxy-D-gluconate	monocarboxylic acid anion
CHEBI:58774	CHEBI:35757	3-dehydro-L-gulonate 6-phosphate	monocarboxylic acid anion
CHEBI:58824	CHEBI:134249	sulfonatoacetate	alkanesulfonate oxoanion
CHEBI:58824	CHEBI:35757	sulfonatoacetate	monocarboxylic acid anion
CHEBI:58837	CHEBI:138140	2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phosphate(2-)	2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion
CHEBI:58879	CHEBI:35757	N-acetylphosphinothricin(2-)	monocarboxylic acid anion
CHEBI:58912	CHEBI:35757	ternatin C5(2-)	monocarboxylic acid anion
CHEBI:58983	CHEBI:47923	3-[(4-trimethylammoniophenyl)diazenyl]-AcTyrGlyGly	tripeptide
CHEBI:59003	CHEBI:33551	alpha-sulfophenylacetate	organosulfonic acid
CHEBI:59175	CHEBI:37141	bromfenac(1-)	organobromine compound
CHEBI:59349	CHEBI:23066	cefepime(1+)	cephalosporin
CHEBI:59531	CHEBI:26544	F420-0(2-)	rhamnonate
CHEBI:59531	CHEBI:35757	F420-0(2-)	monocarboxylic acid anion
CHEBI:59543	CHEBI:28965	coenzyme F420-1(3-)	dicarboxylic acid dianion
CHEBI:5956	CHEBI:36243	ipratropium	propanoate ester
CHEBI:59585	CHEBI:36683	clondronate(2-)	organochlorine compound
CHEBI:59661	CHEBI:33554	colistimethate(5-)	organosulfonate oxoanion
CHEBI:59666	CHEBI:33554	colistimethate A(5-)	organosulfonate oxoanion
CHEBI:59667	CHEBI:33554	colistimethate B(5-)	organosulfonate oxoanion
CHEBI:59719	CHEBI:35267	demarcarium	quaternary ammonium ion
CHEBI:59818	CHEBI:35267	meso-doxacurium	quaternary ammonium ion
CHEBI:59820	CHEBI:35267	(1R,2S,1'R,2'S)-doxacurium	quaternary ammonium ion
CHEBI:59822	CHEBI:35267	(1S,2R,1'S,2'R)-doxacurium	quaternary ammonium ion
CHEBI:59863	CHEBI:16849	D-fructofuranuronate	D-fructuronate
CHEBI:59881	CHEBI:16849	keto-D-fructuronate	D-fructuronate
CHEBI:59920	CHEBI:28965	coenzyme F420-1(4-)	dicarboxylic acid dianion
CHEBI:60007	CHEBI:57670	sulfoglycolithocholate(2-)	N-acylglycinate
CHEBI:60023	CHEBI:35489	CoA-glutathione(5-)	organic disulfide
CHEBI:60268	CHEBI:29067	phosphonatoformate	carboxylic acid anion
CHEBI:60331	CHEBI:35757	2-O-(6-phospho-alpha-D-mannosyl)-D-glycerate	monocarboxylic acid anion
CHEBI:60493	CHEBI:140785	adenosylcobalamin 5'-phosphate(2-)	R-cob(III)alamin
CHEBI:60532	CHEBI:24479	ferriheme a(1-)	heme a
CHEBI:60567	CHEBI:35267	p-azophenyltrimethylammonium	quaternary ammonium ion
CHEBI:60610	CHEBI:35267	4-(trimethylammonium)benzenediazonium	quaternary ammonium ion
CHEBI:60721	CHEBI:157763	all-trans-decaprenyl diphosphate(3-)	polyprenol phosphate anion
CHEBI:60774	CHEBI:29067	porfimer anion	carboxylic acid anion
CHEBI:60822	CHEBI:58001	streptothricin F(3+)	primary aliphatic ammonium ion
CHEBI:60822	CHEBI:60251	streptothricin F(3+)	guanidinium ion
CHEBI:60829	CHEBI:58001	streptothricin D(5+)	primary aliphatic ammonium ion
CHEBI:60829	CHEBI:60251	streptothricin D(5+)	guanidinium ion
CHEBI:60838	CHEBI:35757	streptothricin F acid (pH 7.3)	monocarboxylic acid anion
CHEBI:60838	CHEBI:58001	streptothricin F acid (pH 7.3)	primary aliphatic ammonium ion
CHEBI:60838	CHEBI:60251	streptothricin F acid (pH 7.3)	guanidinium ion
CHEBI:60839	CHEBI:35757	streptothricin D acid (pH 7.3)	monocarboxylic acid anion
CHEBI:60839	CHEBI:58001	streptothricin D acid (pH 7.3)	primary aliphatic ammonium ion
CHEBI:60839	CHEBI:60251	streptothricin D acid (pH 7.3)	guanidinium ion
CHEBI:60909	CHEBI:29067	(S)-ethylmalonyl-CoA(5-)	carboxylic acid anion
CHEBI:61038	CHEBI:35757	fondaparinux(10-)	monocarboxylic acid anion
CHEBI:61038	CHEBI:58958	fondaparinux(10-)	organosulfate oxoanion
CHEBI:61054	CHEBI:58958	6-O-sulfonato-beta-D-glucosyl-(1->3)-[6-O-sulfonato-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->6)]-N-acetyl-beta-D-galactosamine(2-)	organosulfate oxoanion
CHEBI:61123	CHEBI:17984	(E)-4-(trimethylammonio)but-2-enoyl-CoA	acyl-CoA
CHEBI:61287	CHEBI:35757	(S)-2-O-sulfonatolactate(2-)	monocarboxylic acid anion
CHEBI:61287	CHEBI:58958	(S)-2-O-sulfonatolactate(2-)	organosulfate oxoanion
CHEBI:61331	CHEBI:33554	Reactive Blue 5(3-)	organosulfonate oxoanion
CHEBI:61495	CHEBI:35757	beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3-)	monocarboxylic acid anion
CHEBI:61496	CHEBI:35757	alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-)	monocarboxylic acid anion
CHEBI:61505	CHEBI:22798	cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside	beta-D-glucoside
CHEBI:61509	CHEBI:59874	N-acetyl-L-2-aminoadipate(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:61510	CHEBI:59874	N-acetyl-L-2-aminoadipate 6-phosphate(3-)	N-acyl-L-alpha-amino acid anion
CHEBI:61517	CHEBI:17984	gamma-butyrobetainyl-CoA	acyl-CoA
CHEBI:61721	CHEBI:28965	chlorophyll b(1-)	dicarboxylic acid dianion
CHEBI:61923	CHEBI:59874	N-carboxy-L-methionine(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:62600	CHEBI:35757	2-O-(alpha-D-glucopyranosyl)-3-O-phosphonato-D-glycerate(3-)	monocarboxylic acid anion
CHEBI:62602	CHEBI:35757	2-O-[alpha-D-mannopyranosyl-(1->2)-alpha-D-glucopyranosyl]-3-O-phosphonato-D-glycerate(3-)	monocarboxylic acid anion
CHEBI:62612	CHEBI:26457	(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylate	1-pyrrolinecarboxylate
CHEBI:62724	CHEBI:24796	4-hydroxyglucobrassicin(1-)	indolylmethylglucosinolate
CHEBI:62725	CHEBI:24796	4-methoxyglucobrassicin(1-)	indolylmethylglucosinolate
CHEBI:62745	CHEBI:28965	ammoniodiacetate	dicarboxylic acid dianion
CHEBI:63035	CHEBI:15734	sulfocholine	primary alcohol
CHEBI:63163	CHEBI:59814	L-cystine anion	L-alpha-amino acid anion
CHEBI:63246	CHEBI:33554	DY-732(2-)	organosulfonate oxoanion
CHEBI:63274	CHEBI:35757	4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc(2-)	monocarboxylic acid anion
CHEBI:63274	CHEBI:58958	4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc(2-)	organosulfate oxoanion
CHEBI:63278	CHEBI:35757	5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid(2-)	monocarboxylic acid anion
CHEBI:63278	CHEBI:58958	5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid(2-)	organosulfate oxoanion
CHEBI:63290	CHEBI:33554	Alexa Fluor 405(3-)	organosulfonate oxoanion
CHEBI:63291	CHEBI:33554	DY-632(2-)	organosulfonate oxoanion
CHEBI:63292	CHEBI:33554	DY-634(3-)	organosulfonate oxoanion
CHEBI:63293	CHEBI:33554	DY-652(2-)	organosulfonate oxoanion
CHEBI:63294	CHEBI:33554	DY-677(2-)	organosulfonate oxoanion
CHEBI:63295	CHEBI:33554	DY-678(3-)	organosulfonate oxoanion
CHEBI:63296	CHEBI:33554	DY-682(2-)	organosulfonate oxoanion
CHEBI:63297	CHEBI:33554	DY-734(3-)	organosulfonate oxoanion
CHEBI:63298	CHEBI:33554	lucifer yellow carbohydrazide dye(2-)	organosulfonate oxoanion
CHEBI:63476	CHEBI:35757	4-carboxylato-4'-sulfonatoazobenzene	monocarboxylic acid anion
CHEBI:63724	CHEBI:59874	pemetrexed(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:63832	CHEBI:33554	bromosulfophthalein(2-)	organosulfonate oxoanion
CHEBI:63945	CHEBI:33554	ferrozine(2-)	organosulfonate oxoanion
CHEBI:64278	CHEBI:33554	Reactive Blue 5 quinol form(3-)	organosulfonate oxoanion
CHEBI:64327	CHEBI:60251	agmatidine(2+)	guanidinium ion
CHEBI:64335	CHEBI:60251	N(1)-aminopropylagmatine(3+)	guanidinium ion
CHEBI:64385	CHEBI:58619	thiosultap(2-)	S-alkyl thiosulfate anion
CHEBI:64722	CHEBI:33715	L-glutaminiumyl group	N-terminal alpha-amino-acid residue
CHEBI:64941	CHEBI:82829	inositol phosphodihydroceramide(1-)	sphinganine-based sphingolipid
CHEBI:64962	CHEBI:24796	glucobrassicin(1-)	indolylmethylglucosinolate
CHEBI:64965	CHEBI:24796	neoglucobrassicin(1-)	indolylmethylglucosinolate
CHEBI:65086	CHEBI:65296	gamma-L-glutamylbutirosin B(3+)	primary ammonium ion
CHEBI:65194	CHEBI:62715	Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2-)	Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)
CHEBI:65346	CHEBI:33308	aclidinium	carboxylic ester
CHEBI:65417	CHEBI:29437	(+)-aplysinillin	methylium
CHEBI:66637	CHEBI:36683	nostocarboline	organochlorine compound
CHEBI:66684	CHEBI:60251	massadine(2+)	guanidinium ion
CHEBI:67216	CHEBI:29347	1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium	monocarboxylic acid amide
CHEBI:6804	CHEBI:47622	methacholine	acetate ester
CHEBI:68628	CHEBI:33554	tartrazine(3-)	organosulfonate oxoanion
CHEBI:68628	CHEBI:35757	tartrazine(3-)	monocarboxylic acid anion
CHEBI:68630	CHEBI:33554	tetrasulfocyanine(3-)	organosulfonate oxoanion
CHEBI:7102	CHEBI:32877	N-(p-Hydroxyphenethyl)actinidine	primary amine
CHEBI:71259	CHEBI:29067	selenodiglutathione(2-)	carboxylic acid anion
CHEBI:71332	CHEBI:35757	(3-nitro-4-oxidophenyl)acetate	monocarboxylic acid anion
CHEBI:71402	CHEBI:35757	3-phosphonatopyruvate(2-)	monocarboxylic acid anion
CHEBI:71509	CHEBI:145470	anthocyanidin 3-O-sophoroside	sophoroside
CHEBI:71584	CHEBI:22798	cyanidin 3,7-di-O-beta-D-glucoside	beta-D-glucoside
CHEBI:72635	CHEBI:142839	impatienol(2-)	enolate
CHEBI:73125	CHEBI:138139	2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-)	2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion
CHEBI:73332	CHEBI:144315	1-alkyl-2-acyl-sn-glycero-3-phosphate(2-)	1-radyl-2-acyl-sn-glycerolipid
CHEBI:73483	CHEBI:59814	grixazone B(2-)	L-alpha-amino acid anion
CHEBI:73854	CHEBI:17504	1-(10Z-heptadecenoyl)-sn-glycero-3-phosphocholine	1-O-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:73856	CHEBI:149498	(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA(4-)	(7Z,10Z,13Z,16Z)-docosatetraenoyl derivative
CHEBI:73870	CHEBI:149499	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA(4-)	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl derivative
CHEBI:74298	CHEBI:149500	(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)	(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative
CHEBI:74793	CHEBI:22798	peonidin 3-O-beta-D-glucoside	beta-D-glucoside
CHEBI:75030	CHEBI:22798	malvin	beta-D-glucoside
CHEBI:75141	CHEBI:74917	1-arachidonoyl-2-oleoyl-sn-glycero-3-phosphate	1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-)
CHEBI:75213	CHEBI:36264	sodium molybdate dihydrate	molybdate
CHEBI:75675	CHEBI:22798	delphinidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75677	CHEBI:22798	delphinidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75678	CHEBI:22798	delphinidin 3-O-(6-O-acetyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75689	CHEBI:22798	malvidin 3-O-(6-O-acetyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75691	CHEBI:22798	malvidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75693	CHEBI:22798	malvidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75697	CHEBI:22798	peonidin 3-O-(6-O-acetyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75706	CHEBI:22798	peonidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75707	CHEBI:22798	peonidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75708	CHEBI:22798	petunidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:75709	CHEBI:22798	petunidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)	beta-D-glucoside
CHEBI:76942	CHEBI:59874	beta-citrylglutamate(4-)	N-acyl-L-alpha-amino acid anion
CHEBI:77016	CHEBI:149500	(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate	(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative
CHEBI:77087	CHEBI:176910	O-hexadecanedioyl-L-carnitine(1-)	fatty acyl-L-carnitine
CHEBI:77134	CHEBI:33554	6-deoxy-6-sulfo-D-fructofuranose 1-phosphate(3-)	organosulfonate oxoanion
CHEBI:77224	CHEBI:149499	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl derivative
CHEBI:77225	CHEBI:149498	all-cis-docosa-7,10,13,16-tetraenoate	(7Z,10Z,13Z,16Z)-docosatetraenoyl derivative
CHEBI:77226	CHEBI:149502	(4Z,7Z,10Z,13Z,16Z)-docosapentaenoate	(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl derivative
CHEBI:77283	CHEBI:193594	1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-)	1-(Z)-alk-1-enyl-2-lyso-sn-glycerolipid
CHEBI:77308	CHEBI:84292	ethylenebis(dithiocarbamate)	dithiocarbamate anions
CHEBI:77452	CHEBI:65296	2-deoxystreptamine cation	primary ammonium ion
CHEBI:77607	CHEBI:77595	(R)-tosufloxacin tosylate	(R)-tosufloxacin(1+)
CHEBI:77620	CHEBI:36173	5-oxido-6-methylpyridinium-3,4-dicarboxylate	pyridinedicarboxylate
CHEBI:77633	CHEBI:142513	isonocardicin A(2-)	oxime anion
CHEBI:77645	CHEBI:15413	2',4,4',6'-tetrahydroxychalcone(1-)	2',4,4',6'-tetrahydroxychalcone
CHEBI:77857	CHEBI:16307	cyanidin 3-O-beta-D-glucoside(1-)	anthocyanidin 3-O-beta-D-glucoside
CHEBI:77866	CHEBI:35267	1,1'-hexadecane-1,16-diylbis(1-methylpyrrolidinium)	quaternary ammonium ion
CHEBI:77876	CHEBI:35973	biochanin A 7-O-beta-D-glucoside 6''-O-malonate(2-)	3-oxo monocarboxylic acid anion
CHEBI:77885	CHEBI:35757	nocardicin E(2-)	monocarboxylic acid anion
CHEBI:77984	CHEBI:139371	quercetin 3,3',7-trissulfate(4-)	aryl sulfate oxoanion
CHEBI:78025	CHEBI:60251	mitoguazone(2+)	guanidinium ion
CHEBI:78045	CHEBI:16728	2-acetyl-sn-glycero-3-phosphocholine	2-acyl-sn-glycero-3-phosphocholine(1+)
CHEBI:78158	CHEBI:33554	4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate	organosulfonate oxoanion
CHEBI:78207	CHEBI:167115	1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine(1-)	oxidized glycerophosphocholine zwitterion
CHEBI:78251	CHEBI:25482	5-methyl-1-naphthoate	naphthoate
CHEBI:78252	CHEBI:25482	3-hydroxy-5-methyl-1-naphthoate	naphthoate
CHEBI:78281	CHEBI:25482	2,7-dihydroxy-5-methyl-1-naphthoate	naphthoate
CHEBI:78282	CHEBI:25482	2-hydroxy-7-methoxy-5-methyl-1-naphthoate	naphthoate
CHEBI:78429	CHEBI:166904	1-alkyl-2-acyl-3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol(1-)	glycosyldiradylglycerol
CHEBI:78449	CHEBI:76179	O-(S-malonylpantetheine-4'-phosphoryl)serine(2-) residue	O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue
CHEBI:78452	CHEBI:79220	alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-)	N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(2-)
CHEBI:78522	CHEBI:78442	3'-glycyladenylyl zwitterionic group	AMP 3'-end(1-) residue
CHEBI:78525	CHEBI:90782	L-glutamo(2-) group	C-terminal proteinogenic amino-acid residue(1-)
CHEBI:78620	CHEBI:25482	3-methoxy-5-methyl-1-naphthoate	naphthoate
CHEBI:78899	CHEBI:33554	trypan blue(4-)	organosulfonate oxoanion
CHEBI:7907	CHEBI:47622	pancuronium	acetate ester
CHEBI:79081	CHEBI:35757	cyclic 2,3-bisphospho-D-glycerate(3-)	monocarboxylic acid anion
CHEBI:79365	CHEBI:24796	sulfoglucobrassicin(1-)	indolylmethylglucosinolate
CHEBI:80899	CHEBI:33853	Salicifoline	phenols
CHEBI:80987	CHEBI:24279	Glucolesquerellin	glucosinolate
CHEBI:80988	CHEBI:24279	7-Methylthioheptyl glucosinolate	glucosinolate
CHEBI:80989	CHEBI:24279	8-Methylthiooctyl glucosinolate	glucosinolate
CHEBI:81000	CHEBI:24279	Glucoaubrietin	glucosinolate
CHEBI:81001	CHEBI:24279	Glucobarbarin	glucosinolate
CHEBI:81002	CHEBI:24279	Glucosisymbrin	glucosinolate
CHEBI:81125	CHEBI:33567	Coryneine	catecholamine
CHEBI:82476	CHEBI:23315	Hydroxysenkirkine	citraconoyl group
CHEBI:82757	CHEBI:25482	2-hydroxy-5-methyl-1-naphthoate	naphthoate
CHEBI:82771	CHEBI:35267	N(4)-bis(aminopropyl)spermidine(5+)	quaternary ammonium ion
CHEBI:82774	CHEBI:35757	(R)-3,5-bisphosphonatomevalonate(5-)	monocarboxylic acid anion
CHEBI:82940	CHEBI:79218	alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-)	N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-)
CHEBI:83281	CHEBI:24479	ferriheme a3	heme a
CHEBI:83348	CHEBI:35757	chlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:83349	CHEBI:35757	divinyl chlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:83350	CHEBI:35757	protochlorophyllide(2-)	monocarboxylic acid anion
CHEBI:83356	CHEBI:35757	chlorophyllide b(2-)	monocarboxylic acid anion
CHEBI:83357	CHEBI:35757	7(1)-hydroxychlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:83373	CHEBI:35757	3-vinylbacteriochlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:83725	CHEBI:33255	primary alkymercury(1+)	alkylmercury compound
CHEBI:83963	CHEBI:35757	2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2-)	monocarboxylic acid anion
CHEBI:83963	CHEBI:58958	2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2-)	organosulfate oxoanion
CHEBI:84295	CHEBI:84292	propylene 1,2-bis(dithiocarbamate)	dithiocarbamate anions
CHEBI:84460	CHEBI:15904	10-PAHSA	long-chain fatty acid
CHEBI:84781	CHEBI:58958	alpha-D-Glcp6S-(1->4)-beta-D-Glcp6SOMe(2-)	organosulfate oxoanion
CHEBI:84860	CHEBI:58950	2-hydroxypentacosanoic acid	very long-chain fatty acid anion
CHEBI:85134	CHEBI:35757	12-(phosphonooxy)octadecanoate(3-)	monocarboxylic acid anion
CHEBI:85137	CHEBI:35757	(9E)-12-(phosphonooxy)octadecenoate(3-)	monocarboxylic acid anion
CHEBI:85143	CHEBI:22798	cyanidin 3-O-(2''-O-galloyl-beta-D-galactopyranoside)	beta-D-glucoside
CHEBI:85143	CHEBI:28034	cyanidin 3-O-(2''-O-galloyl-beta-D-galactopyranoside)	beta-D-galactoside
CHEBI:85271	CHEBI:28965	(Kdo)2-lipid A 1-diphosphate(7-) (E. coli)	dicarboxylic acid dianion
CHEBI:85316	CHEBI:29067	(R)-ethylmalonyl-CoA(5-)	carboxylic acid anion
CHEBI:85341	CHEBI:58950	2-hydroxynervonic acid	very long-chain fatty acid anion
CHEBI:85535	CHEBI:59874	N-succinyl-L-alpha-amino acid(2-)	N-acyl-L-alpha-amino acid anion
CHEBI:85649	CHEBI:16018	trans-3-methylglutaconyl-PksL	acyl-[acyl-carrier protein]
CHEBI:85886	CHEBI:17984	3-dehydrocarnityl CoA	acyl-CoA
CHEBI:85888	CHEBI:17984	N,N,N-trimethylglycyl-CoA	acyl-CoA
CHEBI:85985	CHEBI:35757	3-deoxy-alpha-D-manno-2-octulosonate-8-phosphate(3-)	monocarboxylic acid anion
CHEBI:86125	CHEBI:33554	4-aminoazobenzene-3,4'-disulfonate	organosulfonate oxoanion
CHEBI:86222	CHEBI:38889	borax	tetraborate(2-)
CHEBI:86227	CHEBI:33554	4-amino-5-hydroxy-3-[(p-nitrophenyl)azo]-6-(phenylazo)-naphthalene-2,7-disulfonate	organosulfonate oxoanion
CHEBI:86473	CHEBI:36264	sodium molybdate heptahydrate	molybdate
CHEBI:87062	CHEBI:33554	acid fuchsin(2-)	organosulfonate oxoanion
CHEBI:87072	CHEBI:33554	acid green 5(2-)	organosulfonate oxoanion
CHEBI:87076	CHEBI:33554	5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate	organosulfonate oxoanion
CHEBI:87093	CHEBI:33554	7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonate	organosulfonate oxoanion
CHEBI:87105	CHEBI:33554	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate	organosulfonate oxoanion
CHEBI:87111	CHEBI:33554	4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate	organosulfonate oxoanion
CHEBI:87116	CHEBI:33554	7-hydroxy-8-[(naphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate	organosulfonate oxoanion
CHEBI:87188	CHEBI:33554	Biebrich scarlet(2-)	organosulfonate oxoanion
CHEBI:87191	CHEBI:33554	7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate	organosulfonate oxoanion
CHEBI:87216	CHEBI:33554	azocarmine B(2-)	organosulfonate oxoanion
CHEBI:87220	CHEBI:33554	flavianate	organosulfonate oxoanion
CHEBI:87371	CHEBI:33554	1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate	organosulfonate oxoanion
CHEBI:87387	CHEBI:33554	chromoxane cyanin R(3-)	organosulfonate oxoanion
CHEBI:87463	CHEBI:60251	propamidine(2+)	guanidinium ion
CHEBI:87466	CHEBI:33554	5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate	organosulfonate oxoanion
CHEBI:87470	CHEBI:33554	benzo scarlet 4BNS(3-)	organosulfonate oxoanion
CHEBI:87636	CHEBI:33554	Evans blue(4-)	organosulfonate oxoanion
CHEBI:87650	CHEBI:35267	methyl green(2+)	quaternary ammonium ion
CHEBI:87779	CHEBI:65051	(3S)-3-hydroxytetracosanoyl-CoA	3-hydroxytetracosanoyl-CoA(4-)
CHEBI:87829	CHEBI:138087	2''-O-glutaryl-ADP-D-ribose(3-)	O-acyl-ADP-D-ribose(2-)
CHEBI:87832	CHEBI:138087	2''-O-succinyl-ADP-D-ribose(3-)	O-acyl-ADP-D-ribose(2-)
CHEBI:87833	CHEBI:138087	2''-O-malonyl-ADP-D-ribose(3-)	O-acyl-ADP-D-ribose(2-)
CHEBI:87834	CHEBI:26457	(S)-4-hydroxy-1-pyrroline-2-carboxylate	1-pyrrolinecarboxylate
CHEBI:87979	CHEBI:87902	(2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate	an alpha-mycolic acid
CHEBI:88024	CHEBI:33554	4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate	organosulfonate oxoanion
CHEBI:88093	CHEBI:33554	6-deoxy-6-sulfo-D-gluconate(2-)	organosulfonate oxoanion
CHEBI:88093	CHEBI:35757	6-deoxy-6-sulfo-D-gluconate(2-)	monocarboxylic acid anion
CHEBI:88094	CHEBI:33554	2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate(2-)	organosulfonate oxoanion
CHEBI:88094	CHEBI:35757	2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate(2-)	monocarboxylic acid anion
CHEBI:88193	CHEBI:33554	Sirius red 4B(2-)	organosulfonate oxoanion
CHEBI:88196	CHEBI:33554	Pontamine sky blue 5B(4-)	organosulfonate oxoanion
CHEBI:88199	CHEBI:33554	Chrome fast yellow 8GL(2-)	organosulfonate oxoanion
CHEBI:88204	CHEBI:33554	Congo corinth(2-)	organosulfonate oxoanion
CHEBI:88281	CHEBI:33554	Sirius red F3B(6-)	organosulfonate oxoanion
CHEBI:88289	CHEBI:35267	ethyl green(1+)	quaternary ammonium ion
CHEBI:88292	CHEBI:33554	Fast green FCF(2-)	organosulfonate oxoanion
CHEBI:88670	CHEBI:15904	Dihomo-linoleate (20:2n6)	long-chain fatty acid
CHEBI:8884	CHEBI:35509	rocuronium	androstane
CHEBI:8884	CHEBI:36835	rocuronium	3alpha-hydroxy steroid
CHEBI:8884	CHEBI:47622	rocuronium	acetate ester
CHEBI:89104	CHEBI:64583	SM C16:1	sphingomyelin
CHEBI:89232	CHEBI:64583	SM(d17:1/24:0)	sphingomyelin
CHEBI:89233	CHEBI:64583	SM(d16:1/24:1(15Z))	sphingomyelin
CHEBI:89233	CHEBI:82896	SM(d16:1/24:1(15Z))	N-acylhexadecasphingosine-1-phosphocholine
CHEBI:89701	CHEBI:16670	Glutamyl-Cysteine	peptide
CHEBI:90181	CHEBI:35267	iodine green(2+)	quaternary ammonium ion
CHEBI:90202	CHEBI:33554	lissamine fast red(2-)	organosulfonate oxoanion
CHEBI:90208	CHEBI:33554	lissamine fast yellow(2-)	organosulfonate oxoanion
CHEBI:90214	CHEBI:33554	Luxol fast blue MBS(2-)	organosulfonate oxoanion
CHEBI:90323	CHEBI:33554	Ponceau S(4-)	organosulfonate oxoanion
CHEBI:90791	CHEBI:35757	3-(1-hydroxyethyl)bacteriochlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:90792	CHEBI:35757	3-(1-hydroxyethyl)chlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:90794	CHEBI:35757	3-acetylchlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:90795	CHEBI:35757	bacteriochlorophyllide a(2-)	monocarboxylic acid anion
CHEBI:90857	CHEBI:35757	bacteriochlorophyllide g(2-)	monocarboxylic acid anion
CHEBI:90883	CHEBI:38424	2,3-dichloromuconate(2-)	dichloromuconate(2-)
CHEBI:91082	CHEBI:33554	5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate	organosulfonate oxoanion
CHEBI:91254	CHEBI:35757	phosphonoformate(2-)	monocarboxylic acid anion
CHEBI:91255	CHEBI:35757	CMP-5'-phosphonoformate(3-)	monocarboxylic acid anion
CHEBI:9151	CHEBI:24279	Sinalbin	glucosinolate
CHEBI:93770	CHEBI:77383	hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate	1,1-bis(phosphonic acid)
CHEBI:94038	CHEBI:18000	trimethyl-[(5-methyl-2-furanyl)methyl]ammonium	aralkylamine
CHEBI:94635	CHEBI:25483	dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium 3-hydroxy-2-naphthalenecarboxylic acid	naphthoic acid
CHEBI:94643	CHEBI:17792	2-bromo-1-ethylpyridin-1-ium	organohalogen compound
CHEBI:94672	CHEBI:23066	LSM-5686	cephalosporin
CHEBI:94676	CHEBI:23066	(6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-(2-carboxypropan-2-yloxyimino)-1-oxoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	cephalosporin
CHEBI:94753	CHEBI:23066	(6R,7S)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2R)-1-oxo-2-phenyl-2-sulfoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	cephalosporin
CHEBI:94823	CHEBI:25483	4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine	naphthoic acid
CHEBI:95038	CHEBI:15705	(5S)-5-amino-6-hydroxy-2,6-dioxohexane-1-diazonium	L-alpha-amino acid
CHEBI:95203	CHEBI:23066	(7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	cephalosporin
CHEBI:95225	CHEBI:33575	(3R,4R)-4-hydroxy-1,1-dimethyl-3-pyrrolidin-1-iumcarboxylic acid	carboxylic acid
CHEBI:95238	CHEBI:23066	(6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	cephalosporin
CHEBI:95252	CHEBI:25483	dimethyl-(3-phenoxypropyl)-phenylammonium 3-hydroxy-2-naphthalenecarboxylic acid	naphthoic acid
CHEBI:9701	CHEBI:26878	tridihexethyl	tertiary alcohol
CHEBI:9939	CHEBI:35509	vecuronium	androstane
CHEBI:9939	CHEBI:47622	vecuronium	acetate ester

Jun 07 '23 19:06 cmungall

Here is how to regenerate using semsql:

create view charge as select * from statements where predicate='obo:chebi/charge';
create view inconsistent_charge as select c1.subject, c2.subject from charge as c1, rdfs_subclass_of_statement as s, charge as c2 where c1.subject=s.subject and c2.subject=s.object and c1.value != c2.value;

Jun 07 '23 19:06 cmungall

Consider putreanine(1+) (CHEBI:180912) is a carboxylic acid anion (CHEBI:29067)

That a cation(1+) is an anion(1−) seems to be absurd, right? But carboxylic acid anion is defined as R-COO⁻, where R could bear any charge, including positive. The "net charge" of a carboxylic acid anion does make as much sense as its average mass, that is, none.

In case of entities such as monoatomic boron (CHEBI:33610), diatomic oxygen (CHEBI:33263), triatomic sulfur (CHEBI:33413) the average mass does make sense but the net charge doesn't.

IMHO the easiest fix to this problem would be simply to eliminate the "net charge" from the entries that do not have an INChI in them.

Jun 15 '23 09:06 K-r-ll

Some of these charge inconsistencies are related to structures containing R-groups. This can be dealt with by having a comment in the charge section saying the Net Charge excl. R groups. We are currently doing this for the Average Mass and Monoisotopic Mass:

Others, i will manually check and fix.

Jun 30 '23 15:06 amalik01

Some of these charge inconsistencies are related to structures containing R-groups. This can be dealt with by having a comment in the charge section saying the Net Charge excl. R groups.

Comments are not computable. Consider using a different property so tools can ignore this without string hacking.

Sep 06 '23 19:09 cmungall

any progress on this?

Feb 21 '24 17:02 cmungall

Hi @cmungall A quick solution would be to completely remove the charge field from all the parent classes that contain structures with R-groups. Will this be acceptable to you?

Feb 23 '24 16:02 amalik01

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inconsistent charges between parents and children

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