1.0 2011-09-21 00:11:32 UTC 2015-10-09 22:30:46 UTC FDB022285 Methylhippuric acid Methylhippuric 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 Methylhippuric acid is a metabolite of xylene which is an aromatic hydrocarbon widely used as a solvant. It'e level can be measured in urine of workers exposed to xylene (PMID 8689499). [HMDB] Hippate methyl ester Hippic acid methyl ester Hippurate methyl ester Hippuric acid methyl ester Methyl (benzoylamino)acetate Methyl benzoylaminoacetate Methyl benzoylglycinate Methyl hippurate Methyl N-benzoylglycinate N-benzoyl-Glycine methyl ester N-Benzoylglycine methyl ester C10H11NO3 193.1992 193.073893223 methyl 2-(phenylformamido)acetate methyl (phenylformamido)acetate 1205-08-9 COC(=O)CNC(=O)C1=CC=CC=C1 InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13) XTKVNQKOTKPCKM-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds Alpha amino acid esters Benzene and substituted derivatives Carbonyl compounds Carboximidic acids Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Alpha-amino acid ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound glycine derivative methyl ester Solid logp 0.96 ALOGPS logs -2.37 ALOGPS solubility 8.21e-01 g/l ALOGPS logp 0.67 ChemAxon pka_strongest_acidic 14.93 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac methyl 2-(phenylformamido)acetate ChemAxon average_mass 193.1992 ChemAxon mono_mass 193.073893223 ChemAxon smiles COC(=O)CNC(=O)C1=CC=CC=C1 ChemAxon formula C10H11NO3 ChemAxon inchi InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13) ChemAxon inchikey XTKVNQKOTKPCKM-UHFFFAOYSA-N ChemAxon polar_surface_area 55.4 ChemAxon refractivity 50.89 ChemAxon polarizability 19.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 917 Specdb::MsIr 918 Specdb::MsIr 919 Specdb::NmrTwoD 1513 Specdb::NmrOneD 1571 Specdb::NmrOneD 166354 Specdb::NmrOneD 166545 Specdb::CMs 10832 Specdb::CMs 169022 Specdb::MsMs 1211 Specdb::MsMs 1212 Specdb::MsMs 1213 Specdb::MsMs 289855 Specdb::MsMs 289856 Specdb::MsMs 289857 Specdb::MsMs 329407 Specdb::MsMs 329408 Specdb::MsMs 329409 Specdb::MsMs 374634 Specdb::MsMs 451259 Specdb::MsMs 2235855 Specdb::MsMs 2236414 Specdb::MsMs 2236955 Specdb::MsMs 2237535 Specdb::MsMs 2237990 Specdb::MsMs 2239573 Specdb::MsMs 2240009 Specdb::MsMs 2241718 Specdb::MsMs 2242022 Specdb::MsMs 2243827 Specdb::MsMs 2250423 Specdb::MsMs 2251981 Specdb::MsMs 2692361 Specdb::MsMs 2692362 HMDB00859 #<Reference:0x000055ce31a95060> #<Reference:0x000055ce31a94ea8> #<Reference:0x000055ce31a94cf0> #<Reference:0x000055ce31a94b38> #<Reference:0x000055ce31a94980> #<Reference:0x000055ce31a947c8> 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