EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169476 - 12-hydroxy-3Z,6Z-dodecadienoic acid

Default Structure
ChEBI IDCHEBI:169476
ChEBI Name12-hydroxy-3Z,6Z-dodecadienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESO=C(O)C/C=C\C/C=C\CCCCCO
InChIInChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-2,6,8,13H,3-5,7,9-11H2,(H,14,15)/b2-1-,8-6-
InChIKeyBSWDOBLGMLCOJP-NGNAIVRQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
12-hydroxy-3Z,6Z-dodecadienoic acid (CHEBI:169476) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
Manual XrefsDatabases
4472173ChemSpider
LMFA01050171LIPID MAPS