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CHEBI:28599 - siroheme
| Formula | C42H44FeN4O16 |
| Net Charge | 0 |
| Average Mass | 916.671 |
| Monoisotopic Mass | 916.21017 |
| SMILES | C[C@@]1(CC(=O)O)C2=CC3=[N+]4C(=Cc5c(CCC(=O)O)c(CC(=O)O)c6[n]5[Fe-2]45[N]2C(=CC2=[N+]5C(=C6)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O)[C@H]1CCC(=O)O)C(CCC(=O)O)=C3CC(=O)O |
| InChI | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1 |
| InChIKey | DLKSSIHHLYNIKN-QIISWYHFSA-L |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Biological Roles: | cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| siroheme (CHEBI:28599) has role Escherichia coli metabolite (CHEBI:76971) |
| siroheme (CHEBI:28599) has role cofactor (CHEBI:23357) |
| siroheme (CHEBI:28599) is a heme (CHEBI:30413) |
| siroheme (CHEBI:28599) is conjugate acid of siroheme(8−) (CHEBI:60052) |
| Incoming Relation(s) |
| siroheme(8−) (CHEBI:60052) is conjugate base of siroheme (CHEBI:28599) |
| IUPAC Name |
|---|
| [3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κN21,κN22,κN23,κN24]tetrapropanoato(2−)]iron |
| Synonyms | Source |
|---|---|
| Siroheme | KEGG COMPOUND |
| SIROHEME | PDBeChem |