please add ferroheme d1(4−) (CHEBI:60549) is a ferroheme (CHEBI:38573)

[alanbridge]

Hi Adnan,

hope you are doing well, would you consider adding this relation please?

ferroheme d1(4−) (CHEBI:60549) is a ferroheme (CHEBI:38573)

All the best, Alan

[amalik01]

Hi @alanbridge

There is an issue classifying ferroheme d1(4−) as ferroheme (CHEBI:38573). I know you want to categorize them but this creates issues for ChEBI since when someone wants to search for ferroheme in ChEBI, we don't want to show duplicates (E.g. neutral form and ionised form of the same compound, in the strict sense they are the same). Is there any way that you can reach the parent class via the conjugate base of the entry from your end? otherwise i can create a new class called ferroheme anion which will be the conjugate base of ferroheme (CHEB:38573) and all of the ferroheme anions (ferroheme a(2−), ferroheme b(2−), ferroheme C(2−) etc) will be placed under this new class. Let me know how you would like to proceed. Thanks

[alanbridge]

Hi Adnan,

I see the issue, should have thought of it myself.

Just to give you some background: we are currently mapping all ligands in UniProt, in feature (FT) lines, to ChEBI. This should be part of the next release, sometime in July.

I'd like to be able to search UniProt with "heme" (CHEBI:30413) and find all heme binding proteins - currently that doesn't work though, as we don't have the link in the Rhea mapping file either that we index (need to fix that issue too with Anne and VEnkat, which I think relates to Marvin).

I think if you could create the anions that would be great - could you link them back to the base class heme too, e.g. ferrohome anion is a heme, heme d anion is a heme, etc?

All the best, Alan