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CHEBI:36161 - hematin
| Formula | C34H33FeN4O5 |
| Net Charge | 0 |
| Average Mass | 633.506 |
| Monoisotopic Mass | 633.18003 |
| SMILES | C=CC1=C(C)C2=Cc3c(C=C)c(C)c4[n]3[Fe]35([OH])[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.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 |
| Roles Classification |
|---|
| Biological Roles: | prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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) |
| hematin (CHEBI:36161) is a heme b (CHEBI:26355) |
| IUPAC Name |
|---|
| hydroxo(protoporphyrinato)iron(III) |
| Synonyms | Source |
|---|---|
| [Fe(ppIX)(OH)] | IUPAC |
| Fe(ppIX)(OH) | ChEBI |
| ferriheme hydroxide | ChemIDplus |
| ferriporphyrin hydroxide | ChemIDplus |
| ferriprotoporphyrin basic | ChemIDplus |
| ferriprotoporphyrin IX hydroxide | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:635422 | Beilstein |
| Beilstein:953894 | Beilstein |
| CAS:15489-90-4 | ChemIDplus |