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CHEBI:200392 - Epothilone C6

ChEBI IDCHEBI:200392
ChEBI NameEpothilone C6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO5S
Net Charge0
Average Mass475.651
Monoisotopic Mass475.23924
SMILESC/C(=C\c1csc(C)n1)[C@@H]1C/C=C\C=C\CC(C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
InChIInChI=1S/C26H37NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h7-10,13,15-16,18,21-22,24,28,30H,11-12,14H2,1-6H3/b9-7+,10-8-,17-13+/t16?,18-,21+,22+,24+/m1/s1
InChIKeyROFAAPRTXVOLLR-IJOYMTFQSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone C6 (CHEBI:200392) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,11E,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione