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CHEBI:222793 - Epothilone C8

ChEBI IDCHEBI:222793
ChEBI NameEpothilone C8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO5S
Net Charge0
Average Mass463.640
Monoisotopic Mass463.23924
SMILESCc1nc(/C=C/[C@@H]2C/C=C\CCCC(C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
InChIInChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16?,17-,20+,21+,23+/m1/s1
InChIKeySZLNOQJINZWMEH-LDULZZTDSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone C8 (CHEBI:222793) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione
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78436199ChemSpider