CHEBI:36161 - hematin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hematin
ChEBI ID CHEBI:36161
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H33FeN4O5
Net Charge 0
Average Mass 633.49478
Monoisotopic Mass 633.180
InChI InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
InChIKey BMUDPLZKKRQECS-HXFTUNQESA-K
SMILES CC1=C(CCC(O)=O)C2=[N]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N]5[Fe]3(O)(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via heme )
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
(via heme )
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).
(via porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hematin (CHEBI:36161) is a heme b (CHEBI:26355)
IUPAC Name
hydroxo(protoporphyrinato)iron(III)
Synonyms Sources
[Fe(ppIX)(OH)] IUPAC
Fe(ppIX)(OH) ChEBI
ferriheme hydroxide ChemIDplus
ferriporphyrin hydroxide ChemIDplus
ferriprotoporphyrin basic ChemIDplus
ferriprotoporphyrin IX hydroxide ChemIDplus
Hämatin ChEBI
hematin ChemIDplus
hydroxo[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(III) IUPAC
hydroxyhemin ChemIDplus
phenodin ChemIDplus
protohematin ChemIDplus
Registry Numbers Types Sources
15489-90-4 CAS Registry Number ChemIDplus
635422 Beilstein Registry Number Beilstein
953894 Beilstein Registry Number Beilstein
Last Modified
05 January 2008