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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: | 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) |
| 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 |