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CHEBI:165421 - Lesquerolic acid

Default Structure
ChEBI IDCHEBI:165421
ChEBI NameLesquerolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H38O3
Net Charge0
Average Mass326.521
Monoisotopic Mass326.28210
SMILESCCCCCCC(O)C/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11-
InChIKeyOONXYOAWMIVMCI-KAMYIIQDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Lesquerolic acid (CHEBI:165421) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z,14R)-14-hydroxyicos-11-enoic acid
Manual XrefsDatabases
4472235ChemSpider
LMFA01050117LIPID MAPS
LMFA01050257LIPID MAPS
Registry NumbersSources
CAS:4103-20-2ChemIDplus