Record Information
Version2.0
Creation Date2012-05-31 14:33:41 -0600
Update Date2015-07-07 11:36:22 -0600
Secondary Accession Numbers
  • ECMDB20217
Identification
Name:Ureidoglycine
Description:Ureidoglycine belongs to the class of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon)[1]. (Reference: [1] Amino Acid: http://en.wikipedia.org/wiki/Amino_acid)
Structure
Thumb
Synonyms:
  • 2-(Carbamoylamino)glycine
  • 2-Ureidoglycine
  • Amino(carbamoylamino)acetate
  • Amino(carbamoylamino)acetic acid
Chemical Formula:C3H7N3O3
Weight:Average: 133.106
Monoisotopic: 133.048741105
InChI Key:VTFWFHCECSOPSX-UHFFFAOYSA-N
InChI:InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)
CAS number:Not Available
IUPAC Name:2-amino-2-[(C-hydroxycarbonimidoyl)amino]acetic acid
Traditional IUPAC Name:amino(C-hydroxycarbonimidoylamino)acetic acid
SMILES:NC(NC(O)=N)C(O)=O
Chemical Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassCarboxylic acids and derivatives
Direct ParentN-carbamoyl-alpha amino acids
Alternative Parents
Substituents
  • N-carbamoyl-alpha-amino acid
  • Urea
  • Carbonic acid derivative
  • Monocarboxylic acid or derivatives
  • Carboxylic 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
State:Not Available
Charge:-1
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility4.71 g/LALOGPS
logP-3.4ALOGPS
logP-3ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)0.28ChemAxon
pKa (Strongest Basic)6.75ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area119.43 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity37.92 m³·mol⁻¹ChemAxon
Polarizability11.2 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
SMPDB Pathways:Not Available
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000x-9400000000-2d2dc8689fd15739de41View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-5cf8b2dfaa175edc8707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00dl-9000000000-0d56304fb4ec8bcbdec0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0079-9100000000-587a595818f1b57c1c56View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-c46db2cd820bbe6c1c52View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-80af16889b333fe71fb4View in MoNA
References
References:
  • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID16282
HMDB IDNot Available
Pubchem Compound ID439649
Kegg IDC02091
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDCPD-598
EcoCyc IDCPD-598

Enzymes

General function:
Involved in hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
Specific function:
Involved in the anaerobic utilization of allantoin. Converts allantoate to (S)-ureidoglycolate and ammonia
Gene Name:
allC
Uniprot ID:
P77425
Molecular weight:
45694
General function:
Not Available
Specific function:
Not Available
Gene Name:
ylbA
Uniprot ID:
P75713
Molecular weight:
Not Available