Record Information
Version1.0
Creation date2018-04-16 12:31:47 UTC
Update date2018-04-16 20:11:32 UTC
FoodComEx IDPC001133
FoodDB RecordFDB023135
Chemical Information
NameNicotinuric acid
DescriptionNicotinuric acid is an acyl glycine. Nicotinuric acid is the major detoxification product of nicotinic acid.
CAS Number583-08-4
Structure
Thumb
Synonyms
SynonymSource
N-(3-pyridinylcarbonyl)-(9CI)-glycinehmdb
N-(3-pyridinylcarbonyl)-glycinehmdb
N-(Pyridin-3-ylcarbonyl)glycinehmdb
N-nicotinoyl-(8CI)-Glycinehmdb
N-nicotinoyl-Glycinehmdb
N-Nicotinuratehmdb
N-Nicotinuric acidhmdb
N-Nicotinylglycinehmdb
Nicotinic acidGenerator
Nicotinoyl-glycinehmdb
Nicotinoylglycinehmdb
Nicotinuratehmdb
Nicotinylglycinehmdb
Chemical FormulaC8H8N2O3
IUPAC name2-(pyridin-3-ylformamido)acetic acid
InChI IdentifierInChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
InChI KeyInChIKey=ZBSGKPYXQINNGF-UHFFFAOYSA-N
Isomeric SMILES[H]OC(=O)C([H])([H])N([H])C(=O)C1=C([H])N=C([H])C([H])=C1[H]
Average Molecular Weight180
Monoisotopic Molecular Weight180
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl 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-acyl-alpha amino acids
Alternative Parents
Substituents
  • N-acyl-alpha-amino acid
  • Nicotinamide
  • Pyridine
  • Heteroaromatic compound
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organoheterocyclic compound
  • Azacycle
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions-18°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr