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CHEBI:36183 - ferriheme a

Default Structure
ChEBI IDCHEBI:36183
ChEBI Nameferriheme a
Stars
ASCII Nameferriheme a
DefinitionA ferriheme in which the 1-hydroxy group has S-configuration.
Secondary ChEBI IDCHEBI:134067
Last Modified15 April 2020
Submittergemma, Kirill Degtyarenko
DownloadsMolfile
FormulaC49H56FeN4O6
Net Charge+1
Average Mass852.854
Monoisotopic Mass852.35437
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-2/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-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).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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).
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)
ferriheme a (CHEBI:36183) has role cofactor (CHEBI:23357)
ferriheme a (CHEBI:36183) is a ferriheme (CHEBI:38574)
ferriheme a (CHEBI:36183) is a heme a (CHEBI:24479)
ferriheme a (CHEBI:36183) is conjugate acid of ferriheme a(1−) (CHEBI:60532)
Incoming Relation(s)
ferriheme a(1−) (CHEBI:60532) is conjugate base of ferriheme a (CHEBI:36183)
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}di(propanoato)(2−)]iron(1+)
Synonyms  Source
(cytoporphyrinato)iron(1+)ChEBI
(cytoporphyrinato)iron(III)ChEBI
HEME-ASPDBeChem
(S)-ferriheme aChEBI
Manual XrefsDatabases
HASPDBeChem
Citations