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CHEBI:205381 - 4-Desmethyl-9-keto-epothilone C

ChEBI IDCHEBI:205381
ChEBI Name4-Desmethyl-9-keto-epothilone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO6S
Net Charge0
Average Mass477.623
Monoisotopic Mass477.21851
SMILESC/C(=C\c1csc(C)n1)C1C/C=C\CCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)[C@@H](O)CC(=O)O1
InChIInChI=1S/C25H35NO6S/c1-14(11-19-13-33-18(5)26-19)22-10-8-6-7-9-20(27)15(2)24(30)17(4)25(31)16(3)21(28)12-23(29)32-22/h6,8,11,13,15-17,21-22,24,28,30H,7,9-10,12H2,1-5H3/b8-6-,14-11+/t15-,16?,17+,21-,22?,24-/m0/s1
InChIKeyBHSWIEMRHAMRPG-PAQRNUOGSA-N
Species of MetaboliteComponentSourceComments
Myxococcus xanthus (ncbitaxon:34) - PubMed (14575429)
ChEBI Ontology
Outgoing Relation(s)
4-Desmethyl-9-keto-epothilone C (CHEBI:205381) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9R,13Z)-4,8-dihydroxy-5,7,9-trimethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6,10-trione
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