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

Go to external page http://purl.obolibrary.org/obo/CHEBI_132078

A monocarboxylic acid anion that is the conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-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-aminobutyrate

Synonyms
  • 4-{[(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoyl]amino}butanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
4-{[(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoyl]amino}butanoate [ IUPAC ]

charge

-1

formula

C24H38NO5

has obo namespace

chebi_ontology

has related synonym

N-15-(S)-HPETE-GABA(1-), N-[15(S)-HPETE]-gamma-aminobutyrate, N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoate, N-[15(S)-HPETE]-gamma-aminobutanoate, N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-gamma-aminobutanoate, N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-gamma-aminobutyrate, N-(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl-gamma-aminobutanoate

id

CHEBI:132078

inchi

InChI=1S/C24H39NO5/c1-2-3-13-17-22(30-29)18-14-11-9-7-5-4-6-8-10-12-15-19-23(26)25-21-16-20-24(27)28/h4-5,8-11,14,18,22,29H,2-3,6-7,12-13,15-17,19-21H2,1H3,(H,25,26)(H,27,28)/p-1/b5-4-,10-8-,11-9-,18-14+/t22-/m0/s1

inchikey

MGNPEOZYWFYMNH-ORLNMRMGSA-M

mass

420.563

monoisotopicmass

420.27555

smiles

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