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CHEBI:36301 - ferroheme o

Default Structure
ChEBI IDCHEBI:36301
ChEBI Nameferroheme o
Stars
ASCII Nameferroheme o
DefinitionA ferroheme having a methyl group at ring position 8 and an isoprenoid chain at position 2.
Last Modified14 August 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC49H58FeN4O5
Net Charge0
Average Mass838.871
Monoisotopic Mass838.37566
SMILESC=CC1=C(C)C2=Cc3c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c4[n]3[Fe]35[N]2=C1C=c1c(C)c(CCC(=O)O)c([n]13)=CC1=[N]5C(=C4)C(C)=C1CCC(=O)O
InChIInChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1
InChIKeyFISPASSVCDRERW-ARQJTVBPSA-L
Roles Classification
Biological Roles:
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).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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)
ferroheme o (CHEBI:36301) is a ferroheme (CHEBI:38573)
ferroheme o (CHEBI:36301) is a heme o (CHEBI:24480)
ferroheme o (CHEBI:36301) is conjugate acid of ferroheme o(2−) (CHEBI:60530)
Incoming Relation(s)
ferroheme o(2−) (CHEBI:60530) is conjugate base of ferroheme o (CHEBI:36301)
IUPAC Name 
[3,3'-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-κ4N21,N22,N23,N24}dipropanoato(2−)]iron
Synonym  Source
HEME OPDBeChem
Manual XrefsDatabases
HEOPDBeChem
Registry NumbersSources
Reaxys:5374859Reaxys
Gmelin:703238Gmelin