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CHEBI:199031 - Epothilone D1

ChEBI IDCHEBI:199031
ChEBI NameEpothilone D1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45NO5S
Net Charge0
Average Mass519.748
Monoisotopic Mass519.30184
SMILESC/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CC(C)CCC1
InChIInChI=1S/C29H45NO5S/c1-17-9-8-10-18(2)13-20(4)28(33)22(6)29(34)21(5)25(31)15-27(32)35-26(12-11-17)19(3)14-24-16-36-23(7)30-24/h11,14,16,18,20-22,25-26,28,31,33H,8-10,12-13,15H2,1-7H3/b17-11-,19-14+/t18?,20-,21?,22+,25-,26-,28-/m0/s1
InChIKeyLUSOGNSOTZPASB-MHIRMNDESA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
Epothilone D1 (CHEBI:199031) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,7,9,11,15-pentamethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione
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10343097ChemSpider