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CHEBI:60532 - ferriheme a(1−)

ChEBI IDCHEBI:60532
ChEBI Nameferriheme a(1−)
Stars
ASCII Nameferriheme a(1-)
DefinitionFerriheme a protonated to pH 7.3.
Last Modified15 April 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC49H54FeN4O6
Net Charge-1
Average Mass850.838
Monoisotopic Mass850.33982
SMILES[H]C(=O)C1=C(CCC(=O)[O-])C2=[N]3C1=Cc1c(C)c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c4[n]1[Fe+]31[N]3=C(C=c5c(C)c(CCC(=O)[O-])c([n]51)=C2)C(C=C)=C(C)C3=C4
InChIInChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-4/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1
InChIKeyHIXFOFPPNIASLP-PRYGPKJJSA-J
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).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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).
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)
ferriheme a(1−) (CHEBI:60532) has role cofactor (CHEBI:23357)
ferriheme a(1−) (CHEBI:60532) is a heme a (CHEBI:24479)
ferriheme a(1−) (CHEBI:60532) is conjugate base of ferriheme a (CHEBI:36183)
Incoming Relation(s)
ferriheme a (CHEBI:36183) is conjugate acid of ferriheme a(1−) (CHEBI:60532)
IUPAC Name 
[3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-κ4N21,N22,N23,N24}dipropanoato(4−)]ferrate(1−)
UniProt Name  Source
ferriheme aUniProt
Manual XrefsDatabases
CPD-13733MetaCyc