Terminology Service for NFDI4Health
JSON

N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_132075

A monocarboxylic acid anion that is the conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoate

Synonyms
  • 4-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}butanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
4-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}butanoate [ IUPAC ]

charge

-1

formula

C24H38NO5

has obo namespace

chebi_ontology

has related synonym

N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutyrate, N-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-gamma-aminobutanoate, N-[12(S)-HPETE]-gamma-aminobutyrate, N-[12(S)-HPETE]-GABA(1-), N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-gamma-aminobutyrate, N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-gamma-aminobutanoate

id

CHEBI:132075

inchi

InChI=1S/C24H39NO5/c1-2-3-4-5-10-13-17-22(30-29)18-14-11-8-6-7-9-12-15-19-23(26)25-21-16-20-24(27)28/h7-11,13-14,18,22,29H,2-6,12,15-17,19-21H2,1H3,(H,25,26)(H,27,28)/p-1/b9-7-,11-8-,13-10-,18-14+/t22-/m0/s1

inchikey

OFKDGLASQWCAIZ-YLIHFPLRSA-M

mass

420.563

monoisotopicmass

420.27555

smiles

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