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CHEBI:204055 - Epothilone B10
| Formula | C28H43NO6S |
| Net Charge | 0 |
| Average Mass | 521.720 |
| Monoisotopic Mass | 521.28111 |
| SMILES | CCc1nc(/C=C(\C)[C@@H]2C[C@@H]3O[C@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 |
| InChI | InChI=1S/C28H43NO6S/c1-8-23-29-19(15-36-23)12-17(3)20-13-22-28(7,35-22)11-9-10-16(2)25(32)18(4)26(33)27(5,6)21(30)14-24(31)34-20/h12,15-16,18,20-22,25,30,32H,8-11,13-14H2,1-7H3/b17-12+/t16-,18+,20-,21-,22-,25-,28+/m0/s1 |
| InChIKey | FBHLXXMDOGRQOQ-GPTRSRDWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sorangium cellulosum (ncbitaxon:56) | - | PubMed (11473410) |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Epothilone B10 (CHEBI:204055) is a epothilone (CHEBI:60831) |
| IUPAC Name |
|---|
| (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione |
| Manual Xrefs | Databases |
|---|---|
| 8047086 | ChemSpider |