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CHEBI:208114 - 2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate

ChEBI IDCHEBI:208114
ChEBI Name2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O5
Net Charge0
Average Mass368.514
Monoisotopic Mass368.25627
SMILESCCCCCC(=O)/C=C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
InChIInChI=1S/C21H36O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-21(25)26-18-20(24)17-22/h7,9,12,15,20,22,24H,2-6,8,10-11,13-14,16-18H2,1H3/b9-7+,15-12+/t20-/m0/s1
InChIKeyBABFYBAGZXSUDH-LOJIBBRESA-N
Species of MetaboliteComponentSourceComments
Ampulloclitocybe clavipes (ncbitaxon:56467) - PubMed (12444711)
ChEBI Ontology
Outgoing Relation(s)
2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate (CHEBI:208114) is a lipid (CHEBI:18059)
IUPAC Name 
2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate
Manual XrefsDatabases
8412689ChemSpider