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CHEBI:21565 - N-acetyl-L-valine

ChEBI IDCHEBI:21565
ChEBI NameN-acetyl-L-valine
Stars
ASCII NameN-acetyl-L-valine
DefinitionAn L-valine derivative in which one of the amino hydrogens of L-valine has been replaced by an acetyl group.
Last Modified8 February 2017
DownloadsMolfile
FormulaC7H13NO3
Net Charge0
Average Mass159.185
Monoisotopic Mass159.08954
SMILESCC(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyIHYJTAOFMMMOPX-LURJTMIESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-valine (CHEBI:21565) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-valine (CHEBI:21565) is a L-valine derivative (CHEBI:84129)
N-acetyl-L-valine (CHEBI:21565) is conjugate acid of N-acetyl-L-valinate (CHEBI:133716)
Incoming Relation(s)
N-acetyl-L-valinate (CHEBI:133716) is conjugate base of N-acetyl-L-valine (CHEBI:21565)
N-acetyl-L-valyl residue (CHEBI:133371) is substituent group from N-acetyl-L-valine (CHEBI:21565)
IUPAC Name 
N-acetyl-L-valine
Synonyms  Source
(2S)-2-acetamido-3-methylbutanoic acidIUPAC
N-AcetylvalineChemIDplus
Registry NumbersSources
Reaxys:1723837Reaxys
CAS:96-81-1ChemIDplus
CAS:96-81-1NIST Chemistry WebBook