CHEBI:170067 - N-Acetyl-DL-alanine

ChEBI IDCHEBI:170067
ChEBI NameN-Acetyl-DL-alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H9NO3
Net Charge0
Average Mass131.131
Monoisotopic Mass131.05824
SMILESCC(=O)NC(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)
InChIKeyKTHDTJVBEPMMGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
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-DL-alanine (CHEBI:170067) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-acetamidopropanoic acid
Manual XrefsDatabases
7068ChemSpider
Registry NumbersSources
CAS:1115-69-1ChemIDplus