CHEBI:28599 - siroheme

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ChEBI Name siroheme
ChEBI ID CHEBI:28599
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9166, CHEBI:26690
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Formula C42H44FeN4O16
Net Charge 0
Average Mass 916.66100
Monoisotopic Mass 916.21017
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
SMILES C[C@]1(CC(O)=O)[C@H](CCC(O)=O)C2=CC3=[N+]4C(=Cc5c(CC(O)=O)c(CCC(O)=O)c6C=C7C(CCC(O)=O)=C(CC(O)=O)C8=[N+]7[Fe--]4(N2C1=C8)n56)[C@@H](CCC(O)=O)[C@]3(C)CC(O)=O
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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).
(via porphyrins )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via heme )
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
(via heme )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
sirohaem COMe
Siroheme KEGG COMPOUND
SIROHEME PDBeChem
Manual Xrefs Databases
C00007626 KNApSAcK
C00748 KEGG COMPOUND
DB02832 DrugBank
MOL000015 COMe
Siroheme Wikipedia
SRM PDBeChem
View more database links
Registry Number Type Source
52553-42-1 CAS Registry Number ChemIDplus
Last Modified
26 July 2019