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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 09:40:39 UTC
Update Date2021-09-24 09:40:40 UTC
HMDB IDHMDB0304424
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-carbamoylglycine
DescriptionN-carbamoylglycine, also known as glycoluric acid or hydantoic acid, is a member of the class of compounds known as N-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. N-carbamoylglycine is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). N-carbamoylglycine can be found in a number of food items such as persimmon, summer savory, tarragon, and coriander, which makes N-carbamoylglycine a potential biomarker for the consumption of these food products.
Structure
Thumb
Synonyms
ValueSource
CarbamoylglycineChEBI
Glycoluric acidChEBI
Hydantoic acidChEBI
N-CarbamylglycineChEBI
GlycolateGenerator
Glycolic acidGenerator
HydantoateGenerator
Chemical FormulaC3H6N2O3
Average Molecular Weight118.092
Monoisotopic Molecular Weight118.037842061
IUPAC Name2-[(C-hydroxycarbonimidoyl)amino]acetic acid
Traditional Name(C-hydroxycarbonimidoylamino)acetic acid
CAS Registry NumberNot Available
SMILES
OC(=O)CNC(O)=N
InChI Identifier
InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
InChI KeyKZVRXPPUJQRGFN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
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 DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031034
KNApSAcK IDNot Available
Chemspider ID9626
KEGG Compound IDNot Available
BioCyc IDN-CARBAMOYLGLYCINE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10020
PDB IDNot Available
ChEBI ID133351
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1730571
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available