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CHEBI:62806 - iron methylchlorin

Default Structure
ChEBI IDCHEBI:62806
ChEBI Nameiron methylchlorin
Stars
DefinitionA metallochlorin that is the iron(II) complex of 7,8-dihydroporphyrin which is substituted by methyl groups at positions 3, 7, 7, 8, 12, 13, and 17, and by carboxyethyl groups at positions 2 and 18.
Last Modified25 August 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H36FeN4O4
Net Charge0
Average Mass608.520
Monoisotopic Mass608.20859
SMILESCC1=C(CCC(=O)O)C2=Cc3c(CCC(=O)O)c(C)c4[n]3[Fe-2]35[n]6c(c(C)c(C)c6=CC6=[N+]3C(=C4)C(C)(C)C6C)=CC1=[N+]25
InChIInChI=1S/C33H38N4O4.Fe/c1-16-17(2)24-13-27-20(5)33(6,7)30(37-27)15-26-19(4)22(9-11-32(40)41)29(36-26)14-28-21(8-10-31(38)39)18(3)25(35-28)12-23(16)34-24;/h12-15,20H,8-11H2,1-7H3,(H4,34,35,36,37,38,39,40,41);/q;+2/p-2
InChIKeyZJLLQWSACVGYEC-UHFFFAOYSA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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)
iron methylchlorin (CHEBI:62806) is a dicarboxylic acid (CHEBI:35692)
iron methylchlorin (CHEBI:62806) is a ferroheme (CHEBI:38573)
iron methylchlorin (CHEBI:62806) is a metallochlorin (CHEBI:62804)
iron methylchlorin (CHEBI:62806) is conjugate acid of iron methylchlorin(2−) (CHEBI:62807)
Incoming Relation(s)
iron methylchlorin(2−) (CHEBI:62807) is conjugate base of iron methylchlorin (CHEBI:62806)
IUPAC Name 
[3,3'-(3,7,7,8,12,13,17-heptamethyl-7,8-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24)dipropanoato(2−)]iron
Citations