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CHEBI:200189 - Epothilone I1

ChEBI IDCHEBI:200189
ChEBI NameEpothilone I1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO5S
Net Charge0
Average Mass505.721
Monoisotopic Mass505.28619
SMILESC/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
InChIInChI=1S/C28H43NO5S/c1-18-13-11-9-7-8-10-12-14-23(19(2)15-22-17-35-21(4)29-22)34-25(31)16-24(30)28(5,6)27(33)20(3)26(18)32/h10,12,15,17-18,20,23-24,26,30,32H,7-9,11,13-14,16H2,1-6H3/b12-10-,19-15+/t18-,20+,23-,24-,26-/m0/s1
InChIKeyMLQWYAQKRLGGTG-ZBUSTYTQSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone I1 (CHEBI:200189) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,5,7,9-tetramethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione
Manual XrefsDatabases
8681138ChemSpider