EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60454 - Fe-coproporphyrin III

ChEBI IDCHEBI:60454
ChEBI NameFe-coproporphyrin III
Stars
DefinitionA metalloporphyrin consisting of coproporphyrin III with a central iron atom.
Last Modified26 July 2019
SubmitterSerenella
DownloadsMolfile
FormulaC36H36FeN4O8
Net Charge0
Average Mass708.549
Monoisotopic Mass708.18825
SMILESCC1=C(CCC(=O)O)C2=[N+]3C1=Cc1c(CCC(=O)O)c(C)c4[n]1[Fe-2]31[n]3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2
InChIInChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeySXDINBXHOHHTMY-RGGAHWMASA-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).
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)
Fe-coproporphyrin III (CHEBI:60454) has role cofactor (CHEBI:23357)
Fe-coproporphyrin III (CHEBI:60454) is a metalloporphyrin (CHEBI:25216)
Fe-coproporphyrin III (CHEBI:60454) is conjugate acid of Fe-coproporphyrin III(4−) (CHEBI:68438)
Incoming Relation(s)
Fe-coproporphyrin III(4−) (CHEBI:68438) is conjugate base of Fe-coproporphyrin III (CHEBI:60454)
IUPAC Name 
[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24)tetrapropanoato(2-)]iron
Synonym  Source
iron-coproporphyrin IIISUBMITTER