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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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. 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 |