EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84174 - 12-HPE(8,10,14)TrE

ChEBI IDCHEBI:84174
ChEBI Name12-HPE(8,10,14)TrE
Stars
DefinitionA hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at position 12.
Last Modified24 January 2023
SubmitterSteve
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILESCCCCC/C=C\CC(/C=C/C=C\CCCCCCC(=O)O)OO
InChIInChI=1S/C20H34O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h8,10-11,13-14,17,19,23H,2-7,9,12,15-16,18H2,1H3,(H,21,22)/b11-8-,13-10-,17-14+
InChIKeyCZOASFIZEHMKCK-VHBNVGGOSA-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-HPE(8,10,14)TrE (CHEBI:84174) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
12-HPE(8,10,14)TrE (CHEBI:84174) is a icosanoid (CHEBI:23899)
12-HPE(8,10,14)TrE (CHEBI:84174) is a long-chain fatty acid (CHEBI:15904)
12-HPE(8,10,14)TrE (CHEBI:84174) is conjugate acid of 12-HPE(8,10,14)TrE(1−) (CHEBI:83334)
Incoming Relation(s)
12(S)-HPE(8,10,14)TrE (CHEBI:78860) is a 12-HPE(8,10,14)TrE (CHEBI:84174)
12-HPE(8,10,14)TrE(1−) (CHEBI:83334) is conjugate base of 12-HPE(8,10,14)TrE (CHEBI:84174)
IUPAC Name 
(8Z,10E,14Z)-12-hydroperoxyicosa-8,10,14-trienoic acid
Synonyms  Source
12-HPTrEChEBI
(8Z,10E,14Z)-12-hydroperoxyeicosatrienoic acidChEBI
(8Z,10E,14Z)-12-hydroperoxyicosatrienoic acidChEBI