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CHEBI:230337 - N-Linoleoyl Isoleucine

ChEBI IDCHEBI:230337
ChEBI NameN-Linoleoyl Isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H43NO3
Net Charge0
Average Mass393.612
Monoisotopic Mass393.32429
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C24H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)25-23(24(27)28)21(3)5-2/h9-10,12-13,21,23H,4-8,11,14-20H2,1-3H3,(H,25,26)(H,27,28)/b10-9+,13-12+
InChIKeyNLHYAAGTDKOGDG-OKLKQMLOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
N-Linoleoyl Isoleucine (CHEBI:230337) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
3-methyl-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]pentanoic acid
Manual XrefsDatabases
128530239ChemSpider