EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176396 - 2-hydroperoxyoctadeca-2,4,6-trienoic acid

ChEBI IDCHEBI:176396
ChEBI Name2-hydroperoxyoctadeca-2,4,6-trienoic acid
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCCCCCCCCCCCC=CC=CC=C(OO)C(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h12-16,21H,2-11H2,1H3,(H,19,20)
InChIKeyJRIHOQHSQJDCKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-hydroperoxyoctadeca-2,4,6-trienoic acid (CHEBI:176396) is a HPODE (CHEBI:36329)
IUPAC Name 
2-hydroperoxyoctadeca-2,4,6-trienoic acid
Manual XrefsDatabases
29433986ChemSpider