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CHEBI:209724 - 11,12-Dehydro-12,13-dihydro-13-oxoepothilone D

ChEBI IDCHEBI:209724
ChEBI Name11,12-Dehydro-12,13-dihydro-13-oxoepothilone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO6S
Net Charge0
Average Mass505.677
Monoisotopic Mass505.24981
SMILESC/C1=C/CC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](/C(C)=C/c2csc(C)n2)CC1=O
InChIInChI=1S/C27H39NO6S/c1-15-9-8-10-16(2)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(12-21(15)29)17(3)11-20-14-35-19(5)28-20/h9,11,14,16,18,22-23,25,30,32H,8,10,12-13H2,1-7H3/b15-9-,17-11+/t16-,18+,22-,23-,25-/m0/s1
InChIKeyBVZMBEFNZYHTTJ-YACDILHGSA-N
Species of MetaboliteComponentSourceComments
Myxococcus xanthus (ncbitaxon:34) - PubMed (15895525)
ChEBI Ontology
Outgoing Relation(s)
11,12-Dehydro-12,13-dihydro-13-oxoepothilone D (CHEBI:209724) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7R,8S,9S,12Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-12-ene-2,6,14-trione
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78437399ChemSpider