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CHEBI:211906 - Epothilone D 3-alpha-D-arabinofuranoside
| Formula | C31H47NO9S |
| Net Charge | 0 |
| Average Mass | 609.782 |
| Monoisotopic Mass | 609.29715 |
| SMILES | C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)C2O)CC(=O)O1 |
| InChI | InChI=1S/C31H47NO9S/c1-17-11-9-7-8-10-12-22(18(2)13-21-16-42-20(4)32-21)39-25(34)14-24(31(5,6)29(38)19(3)26(17)35)41-30-28(37)27(36)23(15-33)40-30/h8,10,13,16-17,19,22-24,26-28,30,33,35-37H,7,9,11-12,14-15H2,1-6H3/b10-8-,18-13+/t17-,19+,22-,23+,24-,26-,27+,28?,30+/m0/s1 |
| InChIKey | RJLGVVVYCIMPMK-DAZWEYQJSA-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 D 3-alpha-D-arabinofuranoside (CHEBI:211906) 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-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione |
| Manual Xrefs | Databases |
|---|---|
| 78437991 | ChemSpider |