CHEBI:50385 - hemin

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ChEBI Name hemin
ChEBI ID CHEBI:50385
Definition It is used as a prescription medication to relieve repeated attacks of acute intermittent porphyria related to the menstrual cycle in affected women.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5655, CHEBI:24493
Supplier Information No supplier information found for this compound.
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Formula C34H32ClFeN4O4
Net Charge 0
Average Mass 651.94014
Monoisotopic Mass 651.14614
InChI InChI=1S/C34H34N4O4.ClH.Fe/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);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
InChIKey BTIJJDXEELBZFS-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(Cl)(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2
Roles Classification
Biological Role(s): autophagy inducer
Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
ferroptosis inducer
Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
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 hemin (CHEBI:50385) has role autophagy inducer (CHEBI:138880)
hemin (CHEBI:50385) has role ferroptosis inducer (CHEBI:173085)
hemin (CHEBI:50385) is a heme b (CHEBI:26355)
IUPAC Name
chlorido(protoporphyrinato)iron(III)
Synonyms Sources
chloro(protoporphyrinato)iron(III) JCBN
chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(III) IUPAC
chlorohemin ChemIDplus
chloroprotoferrihem ChemIDplus
ferriprotoporphyrin IX chloride ChEBI
Hämin ChEBI
hemin ChemIDplus
Hemin KEGG COMPOUND
hemin chloride ChEBI
hemin IX ChemIDplus
Hemine KEGG COMPOUND
hémine IUPAC
protohemin JCBN
protohemin IX ChemIDplus
Brand Name Source
Panhematin DrugBank
Manual Xrefs Databases
C06767 KEGG COMPOUND
CPD-11678 MetaCyc
DB03404 DrugBank
FDB005746 FooDB
Hemin Wikipedia
HMDB0000887 HMDB
View more database links
Registry Numbers Types Sources
1236156 Beilstein Registry Number Beilstein
16009-13-5 CAS Registry Number ChemIDplus
2373175 Gmelin Registry Number Gmelin
4648025 Beilstein Registry Number Beilstein
5717757 Beilstein Registry Number Beilstein
953895 Beilstein Registry Number Beilstein
Citations Types Sources
30523204 PubMed citation Europe PMC
31102787 PubMed citation Europe PMC
33603380 PubMed citation Europe PMC
33624637 PubMed citation Europe PMC
33761605 PubMed citation Europe PMC
33987332 PubMed citation Europe PMC
Last Modified
11 June 2021