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CHEBI:205083 - Epothilone K

ChEBI IDCHEBI:205083
ChEBI NameEpothilone K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO4S
Net Charge0
Average Mass405.560
Monoisotopic Mass405.19738
SMILESC/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCCC(C)C(=O)C(C)[C@@H](O)CC(=O)O1
InChIInChI=1S/C22H31NO4S/c1-14-9-7-5-6-8-10-20(15(2)11-18-13-28-17(4)23-18)27-21(25)12-19(24)16(3)22(14)26/h6,8,11,13-14,16,19-20,24H,5,7,9-10,12H2,1-4H3/b8-6-,15-11+/t14?,16?,19-,20-/m0/s1
InChIKeyYQYQTGREIHNPDS-COUJODFESA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone K (CHEBI:205083) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,11Z,14S)-4-hydroxy-5,7-dimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclotetradec-11-ene-2,6-dione
Manual XrefsDatabases
10343098ChemSpider