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CHEBI:132740 - N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid

ChEBI IDCHEBI:132740
ChEBI NameN-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid
Stars
ASCII NameN-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoic acid
DefinitionAn N-acyl-amino acid resulting from the formal condensation of the amino group of γ-aminobutyric acid with the carboxy group of (12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoic acid.
Last Modified25 August 2020
SubmitterSteve
DownloadsMolfile
FormulaC24H39NO5
Net Charge0
Average Mass421.578
Monoisotopic Mass421.28282
SMILESCCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O)OO
InChIInChI=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)/b9-7-,11-8-,13-10-,18-14+/t22-/m0/s1
InChIKeyOFKDGLASQWCAIZ-YLIHFPLRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid (CHEBI:132740) has functional parent 12(S)-HPETE (CHEBI:15626)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid (CHEBI:132740) has role mammalian metabolite (CHEBI:75768)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid (CHEBI:132740) is a N-acyl-γ-aminobutyric acid (CHEBI:134018)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid (CHEBI:132740) is a hydroperoxy fatty amide (CHEBI:156403)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid (CHEBI:132740) is conjugate acid of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoate (CHEBI:132075)
Incoming Relation(s)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoate (CHEBI:132075) is conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid (CHEBI:132740)
IUPAC Name 
4-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}butanoic acid
Synonyms  Source
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutyric acidChEBI
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-γ-aminobutyric acidChEBI
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-γ-aminobutanoic acidChEBI
N-[12(S)-HPETE]-γ-aminobutyric acidChEBI
N-[12(S)-HPETE]-GABAChEBI