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CHEBI:60562 - ferroheme c

ChEBI IDCHEBI:60562
ChEBI Nameferroheme c
Stars
DefinitionA ferroheme coordination complex bearing 1-sulfanylethyl substituents at the 8- and 13-positions.
Last Modified9 December 2024
SubmitterJane Lomax
DownloadsMolfile
FormulaC34H36FeN4O4S2
Net Charge0
Average Mass684.665
Monoisotopic Mass684.15274
SMILESCC1=C(CCC(=O)O)C2=[N+]3C1=Cc1c(C)c(C(C)S)c4[n]1[Fe-2]31[n]3c(c(C)c(CCC(=O)O)c3=C2)=CC2=[N+]1C(=C4)C(C)=C2C(C)S
InChIInChI=1S/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;
InChIKeyXSWPXBWSKQRBRZ-IDTMDVKXSA-L
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).
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)
ferroheme c (CHEBI:60562) has role cofactor (CHEBI:23357)
ferroheme c (CHEBI:60562) is a ferroheme (CHEBI:38573)
ferroheme c (CHEBI:60562) is conjugate acid of ferroheme c(2−) (CHEBI:61717)
Incoming Relation(s)
ferroheme c(2−) (CHEBI:61717) is conjugate base of ferroheme c (CHEBI:60562)
IUPAC Name 
{3,3'-[3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(2−)}iron
Synonym  Source
heme cChEBI
Manual XrefsDatabases
DB03317DrugBank
C15817KEGG COMPOUND
Registry NumbersSources
CAS:26598-29-8SUBMITTER
CAS:26598-29-8ChemIDplus