EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219398 - (4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one

ChEBI IDCHEBI:219398
ChEBI Name(4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31NO2S
Net Charge0
Average Mass349.540
Monoisotopic Mass349.20755
SMILESCCC(=O)[C@@H](C)CCC/C(C)=C\C[C@H](O)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C20H31NO2S/c1-6-19(22)15(3)9-7-8-14(2)10-11-20(23)16(4)12-18-13-24-17(5)21-18/h10,12-13,15,20,23H,6-9,11H2,1-5H3/b14-10-,16-12+/t15-,20-/m0/s1
InChIKeyKJCICXVOGJMFPE-SCKJGMHESA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
(4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one (CHEBI:219398) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
Manual XrefsDatabases
9275321ChemSpider