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CHEBI:84056 - N-acetylisoleucine

ChEBI IDCHEBI:84056
ChEBI NameN-acetylisoleucine
Stars
ASCII NameN-acetylisoleucine
DefinitionAn isoleucine derivative that is the N-acetyl derivative of isoleucine.
Last Modified13 October 2016
Submitternamrata
DownloadsMolfile
FormulaC8H15NO3
Net Charge0
Average Mass173.212
Monoisotopic Mass173.10519
SMILESCCC(C)C(NC(C)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyJDTWZSUNGHMMJM-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-acetylisoleucine (CHEBI:84056) has role human metabolite (CHEBI:77746)
N-acetylisoleucine (CHEBI:84056) is a isoleucine derivative (CHEBI:24899)
Incoming Relation(s)
N-acetyl-L-isoleucine (CHEBI:21555) is a N-acetylisoleucine (CHEBI:84056)
IUPAC Name 
N-acetylisoleucine
Synonyms  Source
N-acetyl-DL-isoleucineChEBI
DL-acetylalloisoleucineChEBI
Registry NumbersSources
Reaxys:2249494Reaxys
Citations