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CHEBI:202689 - 4-desmethylepothilone D

ChEBI IDCHEBI:202689
ChEBI Name4-desmethylepothilone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO5S
Net Charge0
Average Mass477.667
Monoisotopic Mass477.25489
SMILESC/C1=C/C[C@@H](/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)CCC1
InChIInChI=1S/C26H39NO5S/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/h10,12,14,16,18-19,22-23,25,28,30H,7-9,11,13H2,1-6H3/b15-10-,17-12+/t16-,18?,19+,22-,23-,25-/m0/s1
InChIKeyPPADMZQKLQKZMX-NJBAOKSHSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
4-desmethylepothilone D (CHEBI:202689) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,13Z,16S)-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-dione
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10213828ChemSpider