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CHEBI:184863 - 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid

ChEBI IDCHEBI:184863
ChEBI Name9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34O6
Net Charge0
Average Mass346.464
Monoisotopic Mass346.23554
SMILESCCCCCC(O)C(O)/C=C/C(CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H34O6/c1-2-3-7-11-16(19)17(20)14-13-15(24-23)10-8-5-4-6-9-12-18(21)22/h13-17,19-20,23H,2-12H2,1H3,(H,21,22)/b14-13+
InChIKeyXKOSMZYONOMNMT-BUHFOSPRSA-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)
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid (CHEBI:184863) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-9-hydroperoxy-12,13-dihydroxyoctadec-10-enoic acid
Manual XrefsDatabases
4445990ChemSpider
LMFA01040012LIPID MAPS