EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:60955 - 9(S)-HPODE(1−)

ChEBI IDCHEBI:60955
ChEBI Name9(S)-HPODE(1−)
Stars
ASCII Name9(S)-HPODE(1-)
DefinitionA monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 9(S)-HPODE.
Last Modified21 November 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H31O4
Net Charge-1
Average Mass311.442
Monoisotopic Mass311.22278
SMILESCCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)[O-])OO
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+/t17-/m1/s1
InChIKeyJGUNZIWGNMQSBM-UINYOVNOSA-M
ChEBI Ontology
Outgoing Relation(s)
9(S)-HPODE(1−) (CHEBI:60955) is a 9-HPODE(1−) (CHEBI:146293)
9(S)-HPODE(1−) (CHEBI:60955) is a HPODE(1−) (CHEBI:131862)
9(S)-HPODE(1−) (CHEBI:60955) is a monocarboxylic acid anion (CHEBI:35757)
9(S)-HPODE(1−) (CHEBI:60955) is conjugate base of 9(S)-HPODE (CHEBI:34498)
9(S)-HPODE(1−) (CHEBI:60955) is enantiomer of 9(R)-HPODE(1−) (CHEBI:63323)
Incoming Relation(s)
9(S)-HPODE (CHEBI:34498) is conjugate acid of 9(S)-HPODE(1−) (CHEBI:60955)
9(R)-HPODE(1−) (CHEBI:63323) is enantiomer of 9(S)-HPODE(1−) (CHEBI:60955)
IUPAC Name 
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
Synonyms  Source
9(S)-HPOD(1−)ChEBI
(10E,12Z)-(9S)-9-hydroperoxyoctadeca-10,12-dienoateChEBI
(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoateChEBI
UniProt Name  Source
(9S)-hydroperoxy-(10E,12Z)-octadecadienoateUniProt
Citations