1.0 2011-09-21 00:25:11 UTC 2015-10-09 22:31:25 UTC FDB023135 Nicotinuric acid Nicotinuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine Nicotinuric acid is the major detoxification product of nicotinic acid. It may serve as a simple quantitative index of hepatic biotransformation of nicotinic acid.(PMID: 3243933) [HMDB] N-(3-pyridinylcarbonyl)-(9CI)-glycine N-(3-pyridinylcarbonyl)-glycine N-(Pyridin-3-ylcarbonyl)glycine N-nicotinoyl-(8CI)-Glycine N-nicotinoyl-Glycine N-Nicotinurate N-Nicotinuric acid N-Nicotinylglycine Nicotinic acid Nicotinoyl-glycine Nicotinoylglycine Nicotinurate Nicotinylglycine C8H8N2O3 180.1607 180.053492132 2-[(pyridin-3-yl)formamido]acetic acid nicotinuric acid 583-08-4 OC(=O)CNC(=O)C1=CN=CC=C1 InChI=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) ZBSGKPYXQINNGF-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboximidic acids Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Nicotinamides Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid Nicotinamide Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyridine N-acylglycine Solid logp -0.23 ALOGPS logs -1.60 ALOGPS solubility 4.49e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 2.94 ChemAxon pka_strongest_basic 3.73 ChemAxon iupac 2-[(pyridin-3-yl)formamido]acetic acid ChemAxon average_mass 180.1607 ChemAxon mono_mass 180.053492132 ChemAxon smiles OC(=O)CNC(=O)C1=CN=CC=C1 ChemAxon formula C8H8N2O3 ChemAxon inchi InChI=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) ChemAxon inchikey ZBSGKPYXQINNGF-UHFFFAOYSA-N ChemAxon polar_surface_area 79.29 ChemAxon refractivity 43.96 ChemAxon polarizability 16.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1878 Specdb::CMs 1562 Specdb::CMs 13657 Specdb::CMs 31447 Specdb::CMs 32204 Specdb::CMs 32205 Specdb::CMs 38561 Specdb::CMs 131152 Specdb::CMs 138886 Specdb::MsIr 1907 Specdb::MsIr 1908 Specdb::MsIr 1909 Specdb::NmrOneD 1943 Specdb::NmrOneD 135520 Specdb::NmrOneD 135521 Specdb::NmrOneD 135522 Specdb::NmrOneD 135523 Specdb::NmrOneD 135524 Specdb::NmrOneD 135525 Specdb::NmrOneD 135526 Specdb::NmrOneD 135527 Specdb::NmrOneD 135528 Specdb::NmrOneD 135529 Specdb::NmrOneD 135530 Specdb::NmrOneD 135531 Specdb::NmrOneD 135532 Specdb::NmrOneD 135533 Specdb::NmrOneD 135534 Specdb::NmrOneD 135535 Specdb::NmrOneD 135536 Specdb::NmrOneD 135537 Specdb::NmrOneD 135538 Specdb::NmrOneD 135539 Specdb::MsMs 2224 Specdb::MsMs 2225 Specdb::MsMs 2226 Specdb::MsMs 11981 Specdb::MsMs 11982 Specdb::MsMs 11983 Specdb::MsMs 18653 Specdb::MsMs 18654 Specdb::MsMs 18655 Specdb::MsMs 2226394 Specdb::MsMs 2227281 Specdb::MsMs 2227380 Specdb::MsMs 2227448 Specdb::MsMs 2228303 Specdb::MsMs 2228831 Specdb::MsMs 2230632 Specdb::MsMs 2231118 Specdb::MsMs 2232001 Specdb::MsMs 2232210 Specdb::MsMs 2233064 Specdb::MsMs 2233470 Specdb::MsMs 2234394 Specdb::MsMs 2234529 Specdb::MsMs 2235484 Specdb::MsMs 2253184 HMDB03269 #<Reference:0x000055ce31a7f2b0> #<Reference:0x000055ce31a7f0f8> #<Reference:0x000055ce31a7ef40> #<Reference:0x000055ce31a7ed88> #<Reference:0x000055ce31a7ebd0> #<Reference:0x000055ce31a7ea18> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Glycine N-acyltransferase Q6IB77 GLYAT Glycine N-acyltransferase-like protein 1 Q969I3 GLYATL1 Glycine N-acyltransferase-like protein 2 Q8WU03 GLYATL2 Glycine N-acyltransferase-like protein 3 Q5SZD4 GLYATL3