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CHEBI:204905 - Epothilone N

ChEBI IDCHEBI:204905
ChEBI NameEpothilone N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40ClNO7S
Net Charge0
Average Mass546.126
Monoisotopic Mass545.22140
SMILESCc1nc(/C=C2\COC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H](Cl)[C@@H](O)C[C@H]2O)cs1
InChIInChI=1S/C26H40ClNO7S/c1-14-7-6-8-19(27)21(30)10-20(29)17(9-18-13-36-16(3)28-18)12-35-23(32)11-22(31)26(4,5)25(34)15(2)24(14)33/h9,13-15,19-22,24,29-31,33H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19-,20+,21-,22-,24-/m0/s1
InChIKeyJTOSCZWCJBMIDL-LNHNXMDESA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (20606695)
ChEBI Ontology
Outgoing Relation(s)
Epothilone N (CHEBI:204905) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,13S,14S,16R,17E)-13-chloro-4,8,14,16-tetrahydroxy-5,5,7,9-tetramethyl-17-[(2-methyl-1,3-thiazol-4-yl)methylidene]-oxacyclooctadecane-2,6-dione
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