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CHEBI:62806 - iron methylchlorin

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:
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)
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