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CHEBI:78860 - 12(S)-HPE(8,10,14)TrE

ChEBI IDCHEBI:78860
ChEBI Name12(S)-HPE(8,10,14)TrE
Stars
ASCII Name12(S)-HPE(8,10,14)TrE
DefinitionA hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at the 12(S)-position.
Last Modified6 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILESCCCCC/C=C\C[C@@H](/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+/t19-/m0/s1
InChIKeyCZOASFIZEHMKCK-ONNNWOQGSA-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(S)-HPE(8,10,14)TrE (CHEBI:78860) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
12(S)-HPE(8,10,14)TrE (CHEBI:78860) is a 12-HPE(8,10,14)TrE (CHEBI:84174)
12(S)-HPE(8,10,14)TrE (CHEBI:78860) is conjugate acid of 12(S)-HPE(8,10,14)TrE(1−) (CHEBI:78047)
Incoming Relation(s)
12(S)-HPE(8,10,14)TrE(1−) (CHEBI:78047) is conjugate base of 12(S)-HPE(8,10,14)TrE (CHEBI:78860)
IUPAC Name 
(8Z,10E,12S,14Z)-12-hydroperoxyicosa-8,10,14-trienoic acid
Synonyms  Source
(8Z,10E,12S,14Z)-hydroperoxyicosatrienoic acidChEBI
(8Z,10E,12S,14Z)-hydroperoxyeicosatrienoic acidChEBI