EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:50385 - hemin
| Formula | C34H32ClFeN4O4 |
| Net Charge | 0 |
| Average Mass | 651.952 |
| Monoisotopic Mass | 651.14615 |
| SMILES | C=CC1=C(C)C2=Cc3c(C=C)c(C)c4[n]3[Fe]35([Cl])[N]2=C1C=c1c(C)c(CCC(=O)O)c([n]13)=CC1=[N]5C(=C4)C(C)=C1CCC(=O)O |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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. 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). 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) |
| 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 | Source |
|---|---|
| Hemine | KEGG COMPOUND |
| chloro(protoporphyrinato)iron(III) | JCBN |
| protohemin | JCBN |
| chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(III) | IUPAC |
| hemin | ChemIDplus |
| Hämin | ChEBI |
| Brand Name | Source |
|---|---|
| Panhematin | DrugBank |
| Registry Numbers | Sources |
|---|---|
| Gmelin:2373175 | Gmelin |
| Beilstein:953895 | Beilstein |
| Beilstein:4648025 | Beilstein |
| Beilstein:1236156 | Beilstein |
| Beilstein:5717757 | Beilstein |
| CAS:16009-13-5 | ChemIDplus |
| Citations |
|---|