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CHEBI:225135 - 4-Desmethyl-9-keto-epothilone D, diaster

ChEBI IDCHEBI:225135
ChEBI Name4-Desmethyl-9-keto-epothilone D, diaster
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO6S
Net Charge0
Average Mass491.650
Monoisotopic Mass491.23416
SMILESC/C1=C/CC(/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)CC1
InChIInChI=1S/C26H37NO6S/c1-14-7-9-21(28)16(3)25(31)18(5)26(32)17(4)22(29)12-24(30)33-23(10-8-14)15(2)11-20-13-34-19(6)27-20/h8,11,13,16-18,22-23,25,29,31H,7,9-10,12H2,1-6H3/b14-8-,15-11+/t16-,17?,18+,22-,23?,25-/m0/s1
InChIKeyNSVRZISPMRJNOX-RIEHUXILSA-N
Species of MetaboliteComponentSourceComments
Myxococcus xanthus (ncbitaxon:34) - PubMed (14575429)
ChEBI Ontology
Outgoing Relation(s)
4-Desmethyl-9-keto-epothilone D, diaster (CHEBI:225135) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9R,13Z)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6,10-trione
Manual XrefsDatabases
78440309ChemSpider