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CHEBI:165779 - 12-HpODE

ChEBI IDCHEBI:165779
ChEBI Name12-HpODE
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Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCC/C=C/C(C/C=C\CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H32O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,11-12,14,17,21H,2-8,10,13,15-16H2,1H3,(H,19,20)/b12-9-,14-11+
InChIKeySYVVYQKENYQBSX-MMFCQQQJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-HpODE (CHEBI:165779) is a HPODE (CHEBI:36329)
IUPAC Name 
(9Z,13E)-12-hydroperoxyoctadeca-9,13-dienoic acid
Manual XrefsDatabases
4445985ChemSpider
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