EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C34H32FeN4O4 |
| Net Charge | 0 |
| Average Mass | 616.499 |
| Monoisotopic Mass | 616.17729 |
| SMILES | C=CC1=C(C)C2=Cc3c(C=C)c(C)c4[n]3[Fe]35[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/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);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; |
| InChIKey | KABFMIBPWCXCRK-RGGAHWMASA-L |
| Wikipedia |
|---|
| 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) |
| heme b (CHEBI:26355) is a heme (CHEBI:30413) |
| heme b (CHEBI:26355) is a metalloprotoporphyrin (CHEBI:36158) |
| Incoming Relation(s) |
| ferriheme b (CHEBI:36144) is a heme b (CHEBI:26355) |
| ferriheme b(1−) (CHEBI:55376) is a heme b (CHEBI:26355) |
| ferroheme b (CHEBI:17627) is a heme b (CHEBI:26355) |
| hematin (CHEBI:36161) is a heme b (CHEBI:26355) |
| hemin (CHEBI:50385) is a heme b (CHEBI:26355) |
| IUPAC Name |
|---|
| (protoporphyrinato)iron |
| Synonyms | Source |
|---|---|
| [3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron | IUPAC |
| (7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoato)iron | IUPAC |
| Haem | KEGG COMPOUND |
| heme | ChEBI |
| heme b | IUPAC |
| Heme B | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| 3KS0 | PDB |
| C00032 | KEGG COMPOUND |
| ECMDB03178 | ECMDB |
| HEM | PDBeChem |
| Heme_B | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:14875-96-8 | KEGG COMPOUND |
| Citations |
|---|