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CHEBI:202057 - Epothilone C9 3-alpha-D-arabinofuranoside
| Formula | C31H47NO10S |
| Net Charge | 0 |
| Average Mass | 625.781 |
| Monoisotopic Mass | 625.29207 |
| SMILES | Cc1nc(/C=C(\CO)[C@@H]2C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)C3O)CC(=O)O2)cs1 |
| InChI | InChI=1S/C31H47NO10S/c1-17-10-8-6-7-9-11-22(20(14-33)12-21-16-43-19(3)32-21)40-25(35)13-24(31(4,5)29(39)18(2)26(17)36)42-30-28(38)27(37)23(15-34)41-30/h7,9,12,16-18,22-24,26-28,30,33-34,36-38H,6,8,10-11,13-15H2,1-5H3/b9-7-,20-12+/t17-,18+,22-,23+,24-,26-,27+,28?,30+/m0/s1 |
| InChIKey | BZJBHDAWXKPZED-GZYOUZGUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sorangium cellulosum (ncbitaxon:56) | - | PubMed (19575038) |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Epothilone C9 3-alpha-D-arabinofuranoside (CHEBI:202057) is a epothilone (CHEBI:60831) |
| IUPAC Name |
|---|
| (4S,7R,8S,9S,13Z,16S)-4-[(2S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-16-[(E)-3-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione |
| Manual Xrefs | Databases |
|---|---|
| 78436807 | ChemSpider |