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CHEBI:748408 - patupilone
| Formula | C27H41NO6S |
| Net Charge | 0 |
| Average Mass | 507.693 |
| Monoisotopic Mass | 507.26546 |
| SMILES | [H][C@]12C[C@@H](/C(C)=C/c3csc(C)n3)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2 |
| InChI | InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 |
| InChIKey | QXRSDHAAWVKZLJ-PVYNADRNSA-N |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| patupilone (CHEBI:748408) has role antineoplastic agent (CHEBI:35610) |
| patupilone (CHEBI:748408) is a epothilone (CHEBI:60831) |
| Synonyms | Source |
|---|---|
| Epithilone b | ChEMBL |
| EPO-906 | ChEMBL |
| EPO906 | ChEMBL |
| EPO 906A | ChEMBL |
| EPO-906A | ChEMBL |
| EPO906A | ChEMBL |
| Citations |
|---|