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CHEBI:78861 - 14(S)-HPDHE

ChEBI IDCHEBI:78861
ChEBI Name14(S)-HPDHE
Stars
ASCII Name14(S)-HPDHE
DefinitionA hydroperoxy fatty acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at the 14(S)-position.
Last Modified6 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCC(=O)O)OO
InChIInChI=1S/C22H32O4/c1-2-3-4-5-12-15-18-21(26-25)19-16-13-10-8-6-7-9-11-14-17-20-22(23)24/h3-4,6-7,10-16,19,21,25H,2,5,8-9,17-18,20H2,1H3,(H,23,24)/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1
InChIKeyOAGAUECBCOAGOL-OUKOMXQNSA-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)
14(S)-HPDHE (CHEBI:78861) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
14(S)-HPDHE (CHEBI:78861) is a 14-HPDHE (CHEBI:84177)
14(S)-HPDHE (CHEBI:78861) is conjugate acid of 14(S)-HPDHE(1−) (CHEBI:78048)
Incoming Relation(s)
14(S)-HPDHE(1−) (CHEBI:78048) is conjugate base of 14(S)-HPDHE (CHEBI:78861)
IUPAC Name 
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,7,10,12,16,19-hexaenoic acid
Synonym  Source
(4Z,7Z,10Z,12E,14S,16Z,19Z)-hydroperoxydocosahexaenoic acidChEBI
Registry NumbersSources
Reaxys:20137088Reaxys