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CHEBI:212656 - Epothilone G1

ChEBI IDCHEBI:212656
ChEBI NameEpothilone G1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO7
Net Charge0
Average Mass477.598
Monoisotopic Mass477.27265
SMILESC/C(=C\c1coc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
InChIInChI=1S/C26H39NO7/c1-14-8-7-9-19-21(33-19)11-20(15(2)10-18-13-32-17(4)27-18)34-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1
InChIKeyVKTJUSLRQGGFQY-KKQRBIROSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone G1 (CHEBI:212656) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Manual XrefsDatabases
8023606ChemSpider