EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165787 - 12-HpOTrE

ChEBI IDCHEBI:165787
ChEBI Name12-HpOTrE
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCC/C=C/C=C/C(C/C=C\CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)/b4-3+,12-9-,14-11+
InChIKeyFLJRXICXLUZYBE-SFDMDFOLSA-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-HpOTrE (CHEBI:165787) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
IUPAC Name 
(9Z,13E,15E)-12-hydroperoxyoctadeca-9,13,15-trienoic acid
Manual XrefsDatabases
4445992ChemSpider
LMFA02000109LIPID MAPS