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CHEBI:224978 - Epothilone C1

ChEBI IDCHEBI:224978
ChEBI NameEpothilone C1
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SubmitterMetaboLights
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FormulaC25H37NO5S
Net Charge0
Average Mass463.640
Monoisotopic Mass463.23924
SMILESC/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)[C@@H](O)CC(=O)O1
InChIInChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7-,16-12+/t15-,17?,18+,21-,22-,24-/m0/s1
InChIKeyGGEZPMGQYPDHAV-BFDQYSKISA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone C1 (CHEBI:224978) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,7,9-trimethyl-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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