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12(S)-HPE(8,10,14)TrE(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_78047

A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(8,10,14)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

12(S)-HPE(8,10,14)TrE(1-)

Synonyms
  • (8Z,10E,12S,14Z)-12-hydroperoxyicosa-8,10,14-trienoate
Subsets

3_STAR

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

charge

-1

formula

C20H33O4

has obo namespace

chebi_ontology

has related synonym

(12S)-hydroperoxy-(8Z,10E,14Z)-eicosatrienoate, (8Z,10E,12S,14Z)-hydroperoxyicosatrienoate

id

CHEBI:78047

inchi

InChI=1S/C20H34O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h8,10-11,13-14,17,19,23H,2-7,9,12,15-16,18H2,1H3,(H,21,22)/p-1/b11-8-,13-10-,17-14+/t19-/m0/s1

inchikey

CZOASFIZEHMKCK-ONNNWOQGSA-M

mass

337.47420

monoisotopicmass

337.23843

smiles

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