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CHEBI:201334 - 9-Keto-10,11-didehydroepothilone D

ChEBI IDCHEBI:201334
ChEBI Name9-Keto-10,11-didehydroepothilone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO6S
Net Charge0
Average Mass503.661
Monoisotopic Mass503.23416
SMILESCC1=C/CC(/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)/C=C\1
InChIInChI=1S/C27H37NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h8-10,12,14,17-18,22-23,25,30,32H,11,13H2,1-7H3/b10-8-,15-9-,16-12+/t17-,18+,22?,23-,25-/m0/s1
InChIKeyVARJYEHLJSMYQM-UQELFXPRSA-N
Species of MetaboliteComponentSourceComments
Myxococcus xanthus (ncbitaxon:34) - PubMed (14575429)
ChEBI Ontology
Outgoing Relation(s)
9-Keto-10,11-didehydroepothilone D (CHEBI:201334) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9R,11Z,13Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6,10-trione