Record Information
Creation date2015-10-09 22:30:26 UTC
Update date2017-01-19 02:36:22 UTC
FoodComEx IDPC000398
FoodDB RecordFDB022260
Chemical Information
NameN-Acetyl-L-aspartic acid
DescriptionN-Acetylaspartic acid is a derivative of aspartic acid. It is the second most concentrated molecule in the brain after the amino acid glutamate. It is synthesized in neurons from the amino acid aspartate and acetyl coenzyme A. The various functions served by N-acetylaspartic acid are still under investigation, but the primary proposed functions include: 1) A neuronal osmolyte that is involved in fluid balance in the brain 2) A source of acetate for lipid and myelin synthesis in oligodendrocytes, the glial cells that myelinate neuronal axons 3) A precursor for the synthesis of the important neuronal dipeptide N-acetylaspartylglutamate 4)N-Acetylaspartic acid may also be involved in energy production from the amino acid glutamate in neuronal mitochondria. [HMDB]
CAS Number997-55-7
(2S)-2-acetamidobutanedioic acidhmdb
(S)-2-(acetylamino)butanedioic acidhmdb
(S)-2-(acetylamino)succinic acidhmdb
Acetyl-l-aspartic acidhmdb
Acetylaspartic acidhmdb
L-n-acetylaspartic acidhmdb
N-acetyl-l-aspartic acidhmdb
N-acetyl-s-aspartic acidhmdb
N-acetylaspartic acidhmdb
Chemical FormulaC6H9NO5
IUPAC name(2S)-2-acetamidobutanedioic acid
InChI IdentifierInChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
Isomeric SMILESCC(=O)N[C@@H](CC(O)=O)C(O)=O
Average Molecular Weight175.1394
Monoisotopic Molecular Weight175.048072403
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAspartic acid and derivatives
Alternative Parents
  • Aspartic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Carbonyl group
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez
Commercial Vendors
AKSci U003
MetaSci HMDB0000812
Sigma-Aldrich HMDB0000812
Toronto Research Chemicals A168605