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CHEBI:186841 - 12-HETE-GABA

ChEBI IDCHEBI:186841
ChEBI Name12-HETE-GABA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H39NO4
Net Charge0
Average Mass405.579
Monoisotopic Mass405.28791
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O
InChIInChI=1S/C24H39NO4/c1-2-3-4-5-10-13-17-22(26)18-14-11-8-6-7-9-12-15-19-23(27)25-21-16-20-24(28)29/h7-11,13-14,18,22,26H,2-6,12,15-17,19-21H2,1H3,(H,25,27)(H,28,29)/b9-7-,11-8-,13-10-,18-14+/t22-/m0/s1
InChIKeySWAWTORXSPNTDG-YLIHFPLRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
12-HETE-GABA (CHEBI:186841) has functional parent γ-amino acid (CHEBI:33707)
12-HETE-GABA (CHEBI:186841) is a organonitrogen compound (CHEBI:35352)
12-HETE-GABA (CHEBI:186841) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]amino]butanoic acid
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