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CHEBI:83281 - ferriheme a3

ChEBI IDCHEBI:83281
ChEBI Nameferriheme a3
Stars
ASCII Nameferriheme a3
DefinitionA ferriheme consisting of a tetraporphyrin derivative coordinated to a central iron.
Last Modified15 April 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC49H62FeN4O6
Net Charge+1
Average Mass858.902
Monoisotopic Mass858.40132
SMILES[H]C(=O)C1=C(CCC(=O)O)C2=[N]3C1=Cc1c(C)c([C@@H](O)CCCC(C)CCCC(C)CCCC(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/C49H64N4O6.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;/h9,23-30,46,55H,1,10-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-2/b38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t29?,30?,46-;/m0./s1
InChIKeyJDCCRDMXPNAUND-PPHJLLIRSA-L
Roles Classification
Biological Roles:
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 a3 (CHEBI:83281) is a ferriheme (CHEBI:38574)
ferriheme a3 (CHEBI:83281) is a heme a (CHEBI:24479)
ferriheme a3 (CHEBI:83281) is conjugate acid of ferriheme a3(1−) (CHEBI:83282)
Incoming Relation(s)
ferriheme a3(1−) (CHEBI:83282) is conjugate base of ferriheme a3 (CHEBI:83281)
IUPAC Name 
{3,3'-[7-ethenyl-17-formyl-12-[(1S)-1-hydroxy-5,9,13-trimethyltetradecyl]-3,8,13-trimethylporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(2−)}iron(1+)
Citations