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CHEBI:171679 - 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid

ChEBI IDCHEBI:171679
ChEBI Name13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O5
Net Charge0
Average Mass342.476
Monoisotopic Mass342.24062
SMILESCCCCCC(O)/C=C/C(=O)C(CCCCCCCC(=O)O)OC
InChIInChI=1S/C19H34O5/c1-3-4-8-11-16(20)14-15-17(21)18(24-2)12-9-6-5-7-10-13-19(22)23/h14-16,18,20H,3-13H2,1-2H3,(H,22,23)/b15-14+
InChIKeyVFSWPXFUIZSPGW-CCEZHUSRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid (CHEBI:171679) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
(E)-13-hydroxy-9-methoxy-10-oxooctadec-11-enoic acid
Manual XrefsDatabases
LMFA02000288LIPID MAPS
HMDB0040901HMDB
4897173ChemSpider
Registry NumbersSources
CAS:150147-08-3ChemIDplus