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CHEBI:165554 - N-Palmitoyl isoleucine

ChEBI IDCHEBI:165554
ChEBI NameN-Palmitoyl isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H43NO3
Net Charge0
Average Mass369.590
Monoisotopic Mass369.32429
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C22H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-21(22(25)26)19(3)5-2/h19,21H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t19-,21-/m0/s1
InChIKeyNGYZAEAXQQNUBZ-FPOVZHCZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Palmitoyl isoleucine (CHEBI:165554) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S,3S)-2-(hexadecanoylamino)-3-methylpentanoic acid
Manual XrefsDatabases
32698718ChemSpider
LMFA08020112LIPID MAPS
Registry NumbersSources
CAS:54617-29-7ChemIDplus