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CHEBI:78909 - 12-HPEPE

ChEBI IDCHEBI:78909
ChEBI Name12-HPEPE
Stars
DefinitionA hydroperoxy fatty acid that is (5Z,8Z,10E,14Z,17Z)-icosapentaenoic acid in which the hydroperoxy group is located at the 12-position.
Last Modified6 April 2022
SubmitterSteve
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCC/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/b4-3-,9-7-,11-8-,13-10-,17-14+
InChIKeyHDMYXONNVAOHFR-QGQBRVLBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
12-HPEPE (CHEBI:78909) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
12-HPEPE (CHEBI:78909) has role platelet aggregation inhibitor (CHEBI:50427)
12-HPEPE (CHEBI:78909) is a hydroperoxyicosapentaenoic acid (CHEBI:138392)
12-HPEPE (CHEBI:78909) is conjugate acid of 12-HPEPE(1−) (CHEBI:78078)
Incoming Relation(s)
12(S)-HpEPE (CHEBI:90996) is a 12-HPEPE (CHEBI:78909)
12-HPEPE(1−) (CHEBI:78078) is conjugate base of 12-HPEPE (CHEBI:78909)
IUPAC Name 
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoic acid
Synonyms  Source
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyeicosapentaenoic acidChEBI
(5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosapentaenoic acidChEBI
Citations