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CHEBI:40992 - N-acetyl-L-alanine

ChEBI IDCHEBI:40992
ChEBI NameN-acetyl-L-alanine
Stars
ASCII NameN-acetyl-L-alanine
DefinitionAn N-acetyl-L-amino acid that is L-alanine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.
Secondary ChEBI IDsCHEBI:21544, CHEBI:40986
Last Modified11 October 2016
DownloadsMolfile
FormulaC5H9NO3
Net Charge0
Average Mass131.131
Monoisotopic Mass131.05824
SMILESCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyKTHDTJVBEPMMGL-VKHMYHEASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Saccharomyces cerevisiae (ncbitaxon:4932)
- PubMed (17439666)
- MetaboLights (MTBLS8)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-alanine (CHEBI:40992) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
N-acetyl-L-alanine (CHEBI:40992) has role human metabolite (CHEBI:77746)
N-acetyl-L-alanine (CHEBI:40992) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-alanine (CHEBI:40992) is a L-alanine derivative (CHEBI:83943)
N-acetyl-L-alanine (CHEBI:40992) is conjugate acid of N-acetyl-L-alaninate (CHEBI:133520)
Incoming Relation(s)
N-acetyl-L-alaninate (CHEBI:133520) is conjugate base of N-acetyl-L-alanine (CHEBI:40992)
N-acetyl-L-alanine residue (CHEBI:61920) is substituent group from N-acetyl-L-alanine (CHEBI:40992)
N-terminal N-acetyl-L-alanine residue (CHEBI:83683) is substituent group from N-acetyl-L-alanine (CHEBI:40992)
IUPAC Name 
N-acetyl-L-alanine
Synonyms  Source
N-AcetylalanineDrugBank
(S)-2-(acetylamino)propanoic acidChEBI
Ac-Ala-OHChEBI
2-Acetamidopropionic acidChemIDplus
AcetylalanineChemIDplus
N-acetyl-L-α-alanineNIST Chemistry WebBook
Manual XrefsDatabases
AYAPDBeChem
DB02518DrugBank
HMDB0000766HMDB
Registry NumbersSources
Reaxys:1722932Reaxys
CAS:97-69-8NIST Chemistry WebBook
CAS:97-69-8ChemIDplus
Citations