Common NameL-aspartate
Descriptiontrue
Structure
Molecular FormulaC4H7NO4
Average Mass133.10270
Monoisotopic Mass133.03751
IUPAC Name(2S)-2-aminobutanedioic acid
Traditional NameL-aspartic acid
CAS Registry Number56-84-8
SMILES[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
InChI IdentifierInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChI KeyCKLJMWTZIZZHCS-REOHCLBHSA-N
CHEBI IDCHEBI:29991
HMDB IDHMDB0000191
Pathways
NameSMPDB/PathBank
Arginine and proline metabolism
beta-Alanine metabolism
Nitrogen metabolism
Purine metabolism
Tyrosine metabolism
Citrullinemia Type I
Carbamoyl Phosphate Synthetase Deficiency
Argininosuccinic Aciduria
Transcription/Translation
Urea Cycle
Aspartate Metabolism
Glutamate Metabolism
Malate-Aspartate Shuttle
2-Hydroxyglutric Aciduria (D And L Form)
Adenosine Deaminase Deficiency
Adenylosuccinate Lyase Deficiency
AICA-Ribosiduria
Alkaptonuria
Canavan Disease
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)
Hawkinsinuria
Hypoacetylaspartia
Molybdenum Cofactor Deficiency
Ornithine Transcarbamylase Deficiency (OTC Deficiency)
Prolidase Deficiency (PD)
Prolinemia Type II
Purine Nucleoside Phosphorylase Deficiency
Tyrosinemia Type I
Xanthine Dehydrogenase Deficiency (Xanthinuria)
4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency
Hyperinsulinism-Hyperammonemia Syndrome
GABA-Transaminase Deficiency
Argininemia
Hyperprolinemia Type II
Hyperprolinemia Type I
Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency)
Ornithine Aminotransferase Deficiency (OAT Deficiency)
Lesch-Nyhan Syndrome (LNS)
Gout or Kelley-Seegmiller Syndrome
Homocarnosinosis
Azathioprine Action Pathway
Mercaptopurine Action Pathway
Disulfiram Action Pathway
Thioguanine Action Pathway
Ureidopropionase Deficiency
Carnosinuria, carnosinemia
Tyrosinemia, transient, of the newborn
Dopamine beta-hydroxylase deficiency
Creatine deficiency, guanidinoacetate methyltransferase deficiency
Hyperornithinemia with gyrate atrophy (HOGA)
Hyperornithinemia-hyperammonemia-homocitrullinuria [HHH-syndrome]
L-arginine:glycine amidinotransferase deficiency
Xanthinuria type I
Xanthinuria type II
Monoamine oxidase-a deficiency (MAO-A)
Adenine phosphoribosyltransferase deficiency (APRT)
Mitochondrial DNA depletion syndrome
Myoadenylate deaminase deficiency
Succinic semialdehyde dehydrogenase deficiency
Glutaminolysis and Cancer
StateSolid
Water Solubility1.42e+02 g/l
logP-3.52
logS0.03
pKa (Strongest Acidic)1.70
pKa (Strongest Basic)9.61
Hydrogen Acceptor Count5
Hydrogen Donor Count3
Polar Surface Area100.62 Ų
Rotatable Bond Count3
Physiological Charge-1
Formal Charge0
Refractivity26.53 m³·mol⁻¹
Polarizability11.40

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