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CHEBI:197760 - Epothilone C7

ChEBI IDCHEBI:197760
ChEBI NameEpothilone C7
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO6S
Net Charge0
Average Mass493.666
Monoisotopic Mass493.24981
SMILESC/C(=C\c1csc(C)n1)[C@H]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)C(C)CCC/C=C\[C@@H]1O
InChIInChI=1S/C26H39NO6S/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3/b11-9-,16-12+/t15?,17-,20+,21+,23+,24-/m1/s1
InChIKeyXHORAZNTIGWOJV-STOYAMIYSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Epothilone C7 (CHEBI:197760) is a epothilone (CHEBI:60831)
IUPAC Name 
(4S,7R,8S,13Z,15S,16R)-4,8,15-trihydroxy-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 XrefsDatabases
78436130ChemSpider