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CHEBI:226475 - Epothilone H1

ChEBI IDCHEBI:226475
ChEBI NameEpothilone H1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO6
Net Charge0
Average Mass461.599
Monoisotopic Mass461.27774
SMILESC/C(=C\c1coc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
InChIInChI=1S/C26H39NO6/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-32-19(4)27-20)33-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1
InChIKeyRINOSSPYIGLHTK-QJKGZULSSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone H1 (CHEBI:226475) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
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8131572ChemSpider