EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:76625 - 11,12-EET(1−)

ChEBI IDCHEBI:76625
ChEBI Name11,12-EET(1−)
Stars
ASCII Name11,12-EET(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 11,12-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified10 January 2014
Submitterlaimo
DownloadsMolfile
FormulaC20H31O3
Net Charge-1
Average Mass319.465
Monoisotopic Mass319.22787
SMILESCCCCC/C=C\CC1OC1C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/p-1/b8-6-,12-9-,13-10-
InChIKeyDXOYQVHGIODESM-KROJNAHFSA-M
ChEBI Ontology
Outgoing Relation(s)
11,12-EET(1−) (CHEBI:76625) has functional parent arachidonate (CHEBI:32395)
11,12-EET(1−) (CHEBI:76625) is a EET(1−) (CHEBI:131865)
11,12-EET(1−) (CHEBI:76625) is a long-chain fatty acid anion (CHEBI:57560)
11,12-EET(1−) (CHEBI:76625) is a polyunsaturated fatty acid anion (CHEBI:76567)
11,12-EET(1−) (CHEBI:76625) is conjugate base of 11,12-EET (CHEBI:34130)
Incoming Relation(s)
11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoate (CHEBI:137475) has functional parent 11,12-EET(1−) (CHEBI:76625)
(11R,12S)-EET(1−) (CHEBI:131970) is a 11,12-EET(1−) (CHEBI:76625)
(11S,12R)-EET(1−) (CHEBI:131969) is a 11,12-EET(1−) (CHEBI:76625)
11,12-EET (CHEBI:34130) is conjugate acid of 11,12-EET(1−) (CHEBI:76625)
IUPAC Name 
(5Z,8Z)-10-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoate
Synonyms  Source
11,12-epoxy-(5Z,8Z,14Z)-icosatrienoateSUBMITTER
(5Z,8Z,14Z)-11,12-epoxyicosatrienoateChEBI
(5Z,8Z,14Z)-11,12-epoxyeicosatrienoateChEBI
11,12-epoxyarachidonateChEBI
UniProt Name  Source
11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoateUniProt