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Nameurea-1-carboxylic acid
SpeciesSaccharomyces cerevisiae
StrainBaker's yeast
DescriptionUrea-1-carboxylic acid, also known as allophanate or allophanic acid, belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. Urea-1-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Urea-1-carboxylic acid exists in both E. coli (prokaryote) and yeast (eukaryote). Within yeast, urea-1-carboxylic acid participates in a number of enzymatic reactions. In particular, urea-1-carboxylic acid can be biosynthesized from carbonic acid and urea through its interaction with the enzyme urea carboxylase / allophanate hydrolase. In addition, urea-1-carboxylic acid can be converted into ammonium through the action of the enzyme urea carboxylase / allophanate hydrolase. In yeast, urea-1-carboxylic acid is involved in the metabolic pathway called the arginine and proline metabolism pathway.
  • Allophanate
  • Allophanic acid
  • Urea-1-carboxylate
  • Urea-1-carboxylic acid
CAS number625-78-5
WeightAverage: 104.0648
Monoisotopic: 104.022192004
IUPAC Namecarbamoylcarbamic acid
Traditional IUPAC Nameallophanic acid
Chemical FormulaC2H4N2O3
Chemical Taxonomy
Description belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassUreas
Direct ParentUreas
Alternative Parents
  • Urea
  • Carbamic acid derivative
  • Carbamic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Melting pointNot Available
Experimental Properties
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
Water Solubility72 g/LALOGPS
pKa (Strongest Acidic)3.2ChemAxon
pKa (Strongest Basic)-9.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area92.42 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.56 m³·mol⁻¹ChemAxon
Polarizability8.04 ųChemAxon
Number of Rings0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations
  • cytoplasm
Organoleptic PropertiesNot Available
SMPDB PathwaysNot Available
KEGG Pathways
Arginine and proline metabolismec00330 Map00330
SMPDB ReactionsNot Available
KEGG Reactions
water + hydron + urea-1-carboxylic acidCarbon dioxide + Ammonium
Carbonic acid + Adenosine triphosphate + Ureaphosphate + hydron + ADP + urea-1-carboxylic acid
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ox-9100000000-0724ea3ce82d201899c4JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-08fr-9500000000-4e92f953c3aa401069b8JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-f585074d1e588e478696JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-525d0d18e1d3412ce15bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-52e52d412769cc7c1923JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-1ef4adb6133c8bdb0c46JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-bbc623b118d928b4b1c0JSpectraViewer
  • UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
  • Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
  • Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
  • Whitney, P. A., Cooper, T. (1973). "Urea carboxylase from Saccharomyces cerevisiae. Evidence for a minimal two-step reaction sequence." J Biol Chem 248:325-330.4571226
  • Whitney, P. A., Cooper, T. G. (1972). "Urea carboxylase and allophanate hydrolase. Two components of adenosine triphosphate:urea amido-lyase in Saccharomyces cerevisiae." J Biol Chem 247:1349-1353.4551940
Synthesis Reference:Not Available
External Links:
HMDB IDNot Available
Pubchem Compound ID150833
Kegg IDC01010
ChemSpider ID132943
FOODB IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available


General function:
Involved in carbon-nitrogen ligase activity, with glutamine as amido-N-donor
Specific function:
Hydrolysis of urea to ammonia and CO(2)
Gene Name:
Uniprot ID:
Molecular weight:
ATP + urea + HCO(3)(-) → ADP + phosphate + urea-1-carboxylate.
Urea-1-carboxylate + H(2)O → 2 CO(2) + 2 NH(3).