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CHEBI:78732 - 9-HPETE

ChEBI IDCHEBI:78732
ChEBI Name9-HPETE
Stars
DefinitionA HPETE in which the hydroxy group is located at position 9 with the four double bonds at positions 5, 7, 11 and 14 (the 5Z,7E,11Z,14Z geoisomer).
Last Modified6 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC/C=C\C/C=C\CC(/C=C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+
InChIKeyLIYCOTUUWOESJK-OIZRIKEUSA-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)
9-HPETE (CHEBI:78732) is a HPETE (CHEBI:24644)
9-HPETE (CHEBI:78732) is conjugate acid of 9-HPETE(1−) (CHEBI:146289)
Incoming Relation(s)
9(R)-HPETE (CHEBI:78731) is a 9-HPETE (CHEBI:78732)
9(S)-HPETE (CHEBI:34497) is a 9-HPETE (CHEBI:78732)
9-HPETE(1−) (CHEBI:146289) is conjugate base of 9-HPETE (CHEBI:78732)
IUPAC Name 
(5Z,7E,11Z,14Z)-9-hydroperoxyicosa-5,7,11,14-tetraenoic acid
Synonyms  Source
9-hydroperoxy-5Z,7E,11Z,14Z-eicosatetraenoic acidLIPID MAPS
9-HpETELIPID MAPS
Manual XrefsDatabases
LMFA03060040LIPID MAPS
Registry NumbersSources
Reaxys:5288966Reaxys