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CHEBI:216780 - Epothilone A8

ChEBI IDCHEBI:216780
ChEBI NameEpothilone A8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO6S
Net Charge0
Average Mass479.639
Monoisotopic Mass479.23416
SMILESCc1nc(/C=C/[C@@H]2C[C@@H]3O[C@@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
InChIInChI=1S/C25H37NO6S/c1-14-7-6-8-19-20(32-19)11-18(10-9-17-13-33-16(3)26-17)31-22(28)12-21(27)25(4,5)24(30)15(2)23(14)29/h9-10,13-15,18-21,23,27,29H,6-8,11-12H2,1-5H3/b10-9+/t14-,15+,18+,19+,20-,21-,23-/m0/s1
InChIKeyHQOMWNCHRWPRQE-PAHOANEJSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone A8 (CHEBI:216780) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
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8088662ChemSpider