EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:63324 - (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate

Default Structure
ChEBI IDCHEBI:63324
ChEBI Name(8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate
Stars
ASCII Name(8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate
DefinitionThe hydroperoxy fatty acid anion that is the conjugate base of hydroperoxy fatty acid anion, formed by deprotonation of the carboxy group; principal microspecies at pH 7.3.
Last Modified9 September 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H31O4
Net Charge-1
Average Mass311.442
Monoisotopic Mass311.22278
SMILESCCCCC/C=C\C[C@H](/C=C/CCCCCCC(=O)[O-])OO
InChIInChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/p-1/b11-8-,15-12+/t17-/m1/s1
InChIKeyYONQBPOWOZLKHS-HLGVZOAESA-M
ChEBI Ontology
Outgoing Relation(s)
(8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate (CHEBI:63324) is a HPODE(1−) (CHEBI:131862)
(8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate (CHEBI:63324) is conjugate base of (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoic acid (CHEBI:64006)
(8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate (CHEBI:63324) is enantiomer of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate (CHEBI:75346)
Incoming Relation(s)
(8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoic acid (CHEBI:64006) is conjugate acid of (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate (CHEBI:63324)
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate (CHEBI:75346) is enantiomer of (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate (CHEBI:63324)
IUPAC Name 
(8E,10R,12Z)-10-hydroperoxyoctadeca-8,12-dienoate
UniProt Name  Source
(8E,10R,12Z)-10-hydroperoxyoctadeca-8,12-dienoateUniProt
Manual XrefsDatabases
CPD-13769MetaCyc
Citations