CHEBI:131964 - (14S,15R)-EET(1−)

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ChEBI Name (14S,15R)-EET(1−)
ChEBI ID CHEBI:131964
ChEBI ASCII Name (14S,15R)-EET(1-)
Definition A 14,15-EET(1−) that is the conjugate base of (14S,15R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H31O3
Net Charge -1
Average Mass 319.459
Monoisotopic Mass 319.22787
InChI InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/p-1/b6-4-,9-7-,13-10-/t18-,19+/m1/s1
InChIKey JBSCUHKPLGKXKH-KZTFMOQPSA-M
SMILES C(CCC)C[C@@H]1[C@H](C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O1
ChEBI Ontology
Outgoing (14S,15R)-EET(1−) (CHEBI:131964) is a 14,15-EET(1−) (CHEBI:84024)
(14S,15R)-EET(1−) (CHEBI:131964) is conjugate base of (14S,15R)-EET (CHEBI:132274)
(14S,15R)-EET(1−) (CHEBI:131964) is enantiomer of (14R,15S)-EET(1−) (CHEBI:131965)
Incoming (14S,15R)-EET (CHEBI:132274) is conjugate acid of (14S,15R)-EET(1−) (CHEBI:131964)
(14R,15S)-EET(1−) (CHEBI:131965) is enantiomer of (14S,15R)-EET(1−) (CHEBI:131964)
IUPAC Name
(5Z,8Z,11Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoate
Synonyms Sources
(14S,15R)-EpETrE(1−) ChEBI
(14S,15R)-epoxy-(5Z,8Z,11Z)-eicosatrienoate UniProt
(14S,15R)-epoxy-(5Z,8Z,11Z)-icosatrienoate ChEBI
Citation
Mesaros C, Lee SH, Blair IA (2010)
Analysis of epoxyeicosatrienoic acids by chiral liquid chromatography/electron capture atmospheric pressure chemical ionization mass spectrometry using [13C]-analog internal standards.
Rapid communications in mass spectrometry : RCM 24, 3237-3247 (Source: SUBMITTER) [PubMed:20972997]
[show Abstract]
Last Modified
22 June 2016