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CHEBI:211046 - Epothilone D5

ChEBI IDCHEBI:211046
ChEBI NameEpothilone D5
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO5S
Net Charge0
Average Mass489.678
Monoisotopic Mass489.25489
SMILESC/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)/C(C)=C/CC1
InChIInChI=1S/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h10-11,13,15,19,22-23,25,29,31H,8-9,12,14H2,1-7H3/b16-11-,17-10+,18-13+/t19-,22+,23+,25+/m1/s1
InChIKeyOQUHUZWYEYDRMH-JGMJILQLSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone D5 (CHEBI:211046) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8R,9E,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-9,13-diene-2,6-dione
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