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CHEBI:168173 - 9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid

ChEBI IDCHEBI:168173
ChEBI Name9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34O6
Net Charge0
Average Mass346.464
Monoisotopic Mass346.23554
SMILESCCCCCC(/C=C/C(O)C(O)CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H34O6/c1-2-3-7-10-15(24-23)13-14-17(20)16(19)11-8-5-4-6-9-12-18(21)22/h13-17,19-20,23H,2-12H2,1H3,(H,21,22)/b14-13+
InChIKeyOMGHMRGMXCUWQA-BUHFOSPRSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid (CHEBI:168173) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-13-hydroperoxy-9,10-dihydroxyoctadec-11-enoic acid
Manual XrefsDatabases
4446084ChemSpider
LMFA01050123LIPID MAPS