EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220763 - Hydroxyketone 12

ChEBI IDCHEBI:220763
ChEBI NameHydroxyketone 12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25NO2S
Net Charge0
Average Mass307.459
Monoisotopic Mass307.16060
SMILESCCC(=O)CC/C(C)=C\C[C@H](O)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C17H25NO2S/c1-5-16(19)8-6-12(2)7-9-17(20)13(3)10-15-11-21-14(4)18-15/h7,10-11,17,20H,5-6,8-9H2,1-4H3/b12-7-,13-10+/t17-/m0/s1
InChIKeyPDWXCPOZTNNZCY-PQRNELANSA-N
Species of MetaboliteComponentSourceComments
Myxococcus xanthus (ncbitaxon:34) - PubMed (14575429)
ChEBI Ontology
Outgoing Relation(s)
Hydroxyketone 12 (CHEBI:220763) is a thiazoles (CHEBI:48901)
IUPAC Name 
(6Z,10E)-9-hydroxy-6,10-dimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dien-3-one
Manual XrefsDatabases
10208131ChemSpider