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CHEBI:209162 - Epothilone M

ChEBI IDCHEBI:209162
ChEBI NameEpothilone M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO7S
Net Charge0
Average Mass509.665
Monoisotopic Mass509.24472
SMILESCc1nc(/C=C2\COC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]3O[C@H]3C[C@H]2O)cs1
InChIInChI=1S/C26H39NO7S/c1-14-7-6-8-20-21(34-20)10-19(28)17(9-18-13-35-16(3)27-18)12-33-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19+,20+,21-,22-,24-/m0/s1
InChIKeyRPAIUMQLLWRSES-WIELBLCUSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (20606695)
ChEBI Ontology
Outgoing Relation(s)
Epothilone M (CHEBI:209162) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3R,4E,9S,12R,13S,14S,18R)-3,9,13-trihydroxy-10,10,12,14-tetramethyl-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-6,19-dioxabicyclo[16.1.0]nonadecane-7,11-dione
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78438467ChemSpider