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12(S)-HETrE(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_90771

An icosanoid anion anion that is the conjugate base of 12(S)-HETrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

Term info

Label

12(S)-HETrE(1-)

Synonyms
  • (8Z,10E,12S,14Z)-12-hydroxyicosa-8,10,14-trienoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(8Z,10E,12S,14Z)-12-hydroxyicosa-8,10,14-trienoate [ IUPAC ]

charge

-1

formula

C20H33O3

has obo namespace

chebi_ontology

has related synonym

(12S)-hydroxy-(8Z,10E,14Z)-icosatrienoate, 12S-HETrE, (12S)-hydroxy-(8Z,10E,14Z)-eicosatrienoate

id

CHEBI:90771

inchi

InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/p-1/b11-8-,13-10-,17-14+/t19-/m0/s1

inchikey

YYIXZLMPKIFFGQ-ONNNWOQGSA-M

mass

321.475

monoisotopicmass

321.24352

smiles

C(CCC([O-])=O)CCC/C=C\C=C\[C@H](C/C=C\CCCCC)O