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N-Acetyl-L-alanine (PC000120)

Record Information
Version1.0
Creation date2015-10-09 22:28:38 UTC
Update date2017-01-19 02:36:13 UTC
FoodComEx IDPC000120
FoodDB RecordFDB022231
Chemical Information
NameN-Acetyl-L-alanine
DescriptionN-Acetyl-L-alanine is a substrate for Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Myelin basic protein, GTP-binding nuclear protein Ran, Tropomyosin alpha 4 chain, HIV-1 Rev binding protein 2, Xaa-Pro dipeptidase, Thymosin beta-10, Actin-like protein 3, Alanine aminotransferase, Serine/threonine protein phosphatase PP1-beta catalytic subunit, 10 kDa heat shock protein (mitochondrial), Calmodulin and Beta-1-syntrophin. [HMDB]
CAS Number97-69-8
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
(S)-(-)-N-Acetylalaninehmdb
(S)-2-(acetylamino)PropanoateGenerator
(S)-2-(acetylamino)Propanoic acidChEBI
(S)-N-Acetylalaninehmdb
2-AcetamidopropionateGenerator
2-Acetamidopropionic acidChEBI
Ac-ala-OHChEBI
Acetyl-L-alaninehmdb
Acetylalaninehmdb
L-N-Acetylalaninehmdb
N-Acetyl-(S)-alaninehmdb
N-Acetyl-L-a-alanineGenerator
N-Acetyl-L-alaninehmdb
N-Acetyl-L-alpha-alanineChEBI
N-Acetyl-L-α-alanineGenerator
N-Acetyl-S-alanineChEBI
N-Acetylalaninehmdb
Chemical FormulaC5H9NO3
IUPAC name(2S)-2-acetamidopropanoic acid
InChI IdentifierInChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChI KeyKTHDTJVBEPMMGL-VKHMYHEASA-N
Isomeric SMILESC[C@H](NC(C)=O)C(O)=O
Average Molecular Weight131.1299
Monoisotopic Molecular Weight131.058243159
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-L-alpha-amino acids
Alternative Parents
Substituents
  • N-acyl-l-alpha-amino acid
  • Alanine or derivatives
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 300 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci J93783
AKSci X6605
AKSci HMDB0000766
MetaSci HMDB0000766
Toronto Research Chemicals A168065