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CHEBI:233928 - phenylacetylisoleucine

ChEBI IDCHEBI:233928
ChEBI Namephenylacetylisoleucine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19NO3
Net Charge0
Average Mass249.310
Monoisotopic Mass249.13649
SMILESCC[C@H](C)[C@H](NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-3-10(2)13(14(17)18)15-12(16)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,15,16)(H,17,18)/t10-,13-/m0/s1
InChIKeyZULOUGGNZOVTOV-GWCFXTLKSA-N
ChEBI Ontology
Outgoing Relation(s)
phenylacetylisoleucine (CHEBI:233928) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S,3S)-3-methyl-2-[(2-phenylacetyl)amino]pentanoic acid
Manual XrefsDatabases
24977476ChemSpider