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CHEBI:205433 - 4-Desmethyl-10,11-didehydroepothilone D

ChEBI IDCHEBI:205433
ChEBI Name4-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(=O)[C@H](C)[C@@H](O)[C@@H](C)C/C=C\1
InChIInChI=1S/C26H37NO5S/c1-15-8-7-9-16(2)25(30)19(5)26(31)18(4)22(28)13-24(29)32-23(11-10-15)17(3)12-21-14-33-20(6)27-21/h7-8,10,12,14,16,18-19,22-23,25,28,30H,9,11,13H2,1-6H3/b8-7-,15-10-,17-12+/t16-,18?,19+,22-,23?,25-/m0/s1
InChIKeyCMYNODDHYRKQSA-DRGBCKFCSA-N
Species of MetaboliteComponentSourceComments
Myxococcus xanthus (ncbitaxon:34) - PubMed (14575429)
ChEBI Ontology
Outgoing Relation(s)
4-Desmethyl-10,11-didehydroepothilone D (CHEBI:205433) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,11Z,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-oxacyclohexadeca-11,13-diene-2,6-dione
Manual XrefsDatabases
78440218ChemSpider