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CHEBI:21555 - N-acetyl-L-isoleucine

ChEBI IDCHEBI:21555
ChEBI NameN-acetyl-L-isoleucine
Stars
ASCII NameN-acetyl-L-isoleucine
DefinitionAn N-acetyl-L-amino acid that is L-isoleucine in which one of the nitrogens attached to the nitrogen is replaced by an acetyl group.
Last Modified14 October 2016
DownloadsMolfile
FormulaC8H15NO3
Net Charge0
Average Mass173.212
Monoisotopic Mass173.10519
SMILESCC[C@H](C)[C@H](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)/t5-,7-/m0/s1
InChIKeyJDTWZSUNGHMMJM-FSPLSTOPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-isoleucine (CHEBI:21555) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-isoleucine (CHEBI:21555) is a N-acetylisoleucine (CHEBI:84056)
N-acetyl-L-isoleucine (CHEBI:21555) is a L-isoleucine derivative (CHEBI:84111)
N-acetyl-L-isoleucine (CHEBI:21555) is conjugate acid of N-acetyl-L-isoleucinate (CHEBI:133735)
Incoming Relation(s)
N-acetyl-L-isoleucinate (CHEBI:133735) is conjugate base of N-acetyl-L-isoleucine (CHEBI:21555)
N-terminal N-acetyl-L-isoleucine residue (CHEBI:140858) is substituent group from N-acetyl-L-isoleucine (CHEBI:21555)
IUPAC Name 
N-acetyl-L-isoleucine
Registry NumbersSources
Reaxys:1724890Reaxys
CAS:3077-46-1ChemIDplus
Citations