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CHEBI:198668 - 6-Desmethyl-10,11-didehydroepothilone D

ChEBI IDCHEBI:198668
ChEBI Name6-Desmethyl-10,11-didehydroepothilone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO5S
Net Charge0
Average Mass475.651
Monoisotopic Mass475.23924
SMILESCC1=C/CC(/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)C[C@@H](O)[C@@H](C)C/C=C\1
InChIInChI=1S/C26H37NO5S/c1-16-8-7-9-17(2)21(28)13-23(29)26(5,6)24(30)14-25(31)32-22(11-10-16)18(3)12-20-15-33-19(4)27-20/h7-8,10,12,15,17,21-22,24,28,30H,9,11,13-14H2,1-6H3/b8-7-,16-10-,18-12+/t17-,21+,22?,24-/m0/s1
InChIKeyPXFQCMVJCUZHDH-MYXHCEMGSA-N
Species of MetaboliteComponentSourceComments
Myxococcus xanthus (ncbitaxon:34) - PubMed (14575429)
ChEBI Ontology
Outgoing Relation(s)
6-Desmethyl-10,11-didehydroepothilone D (CHEBI:198668) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,8R,9S,11Z,13Z)-4,8-dihydroxy-5,5,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione
Manual XrefsDatabases
78440019ChemSpider