Record Information
Version2.0
Creation Date2015-09-08 17:49:59 -0600
Update Date2016-09-13 16:35:43 -0600
Secondary Accession Numbers
  • ECMDB24189
Identification
Name:N-carbamoyl-L-aspartate
DescriptionN-carbamoyl-L-aspartate, also known as ureidosuccinic acid, is an intermediary product in pyrimidine metabolism. It is generated by the action of dihydroorotase which catalyzes the following reaction: 4,5-Dihydroorotic acid + Water <=> Ureidosuccinic acid + H+
Structure
Thumb
Synonyms:
  • N-Carbamoyl-L-aspartic acid
Chemical Formula:
Weight:Average: Not Available
Monoisotopic: Not Available
InChI Key:Not Available
InChI:Not Available
CAS number:Not Available
IUPAC Name:2-[(C-hydroxycarbonimidoyl)amino]butanedioate
Traditional IUPAC Name:2-(C-hydroxycarbonimidoylamino)butanedioate
SMILES:Not Available
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
Substituents
  • Aspartic acid or derivatives
  • N-carbamoyl-alpha-amino acid or derivatives
  • N-carbamoyl-alpha-amino acid
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Urea
  • Carbonic acid derivative
  • Carboxylic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:-2
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility11.1 g/LALOGPS
logP-1.2ALOGPS
logP-2.4ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)-3.2ChemAxon
pKa (Strongest Basic)15ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area136.37 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity67.26 m³·mol⁻¹ChemAxon
Polarizability13.86 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
SMPDB Pathways:
Aspartate metabolismPW000787 ThumbThumb?image type=greyscaleThumb?image type=simple
Pyrimidine metabolismPW000942 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:Not Available
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID90158
HMDB IDNot Available
Pubchem Compound ID21960964
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in hydrolase activity
Specific function:
(S)-dihydroorotate + H(2)O = N-carbamoyl-L- aspartate
Gene Name:
pyrC
Uniprot ID:
P05020
Molecular weight:
38827
Reactions
(S)-dihydroorotate + H(2)O = N-carbamoyl-L-aspartate.
General function:
Involved in carboxyl- or carbamoyltransferase activity
Specific function:
Carbamoyl phosphate + L-aspartate = phosphate + N-carbamoyl-L-aspartate
Gene Name:
pyrB
Uniprot ID:
P0A786
Molecular weight:
34427
Reactions
Carbamoyl phosphate + L-aspartate = phosphate + N-carbamoyl-L-aspartate.
General function:
Involved in 'de novo' pyrimidine base biosynthetic process
Specific function:
Involved in allosteric regulation of aspartate carbamoyltransferase
Gene Name:
pyrI
Uniprot ID:
P0A7F3
Molecular weight:
17121