CHEBI:186841 - 12-HETE-GABA

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-HETE-GABA
ChEBI ID CHEBI:186841
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C24H39NO4
Net Charge 0
Average Mass 405.579
Monoisotopic Mass 405.28791
InChI InChI=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
InChIKey SWAWTORXSPNTDG-YLIHFPLRSA-N
SMILES O[C@@H](C/C=C\CCCCC)/C=C/C=C\C/C=C\CCCC(=O)NCCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
113371127 ChemSpider
LMFA08020147 LIPID MAPS
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