1.0 2011-09-21 01:52:30 UTC 2019-11-26 03:21:30 UTC FDB029243 N-Heptanoylglycine N-Heptanoylglycine is an acylglycine with C-7 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycineMCoA + Nacylglycine [HMDB] (Heptanoylamino)acetate (Heptanoylamino)acetic acid 2-(Heptanoylamino)acetate 2-(Heptanoylamino)acetic acid N-(1-Oxoheptyl)glycine N-(Carboxymethyl)heptanamide C9H17NO3 187.2362 187.120843415 2-[(1-hydroxyheptylidene)amino]acetic acid [(1-hydroxyheptylidene)amino]acetic acid 23783-23-5 CCCCCCC(=O)NCC(O)=O InChI=1S/C9H17NO3/c1-2-3-4-5-6-8(11)10-7-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13) RNFCYFVPNIXAHP-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 Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide N-acylglycine fatty amide Solid logp 1.64 ALOGPS logs -2.09 ALOGPS solubility 1.54e+00 g/l ALOGPS logp 1.87 ChemAxon pka_strongest_acidic 4.1 ChemAxon pka_strongest_basic 2.13 ChemAxon iupac 2-[(1-hydroxyheptylidene)amino]acetic acid ChemAxon average_mass 187.2362 ChemAxon mono_mass 187.120843415 ChemAxon smiles CCCCCCC(=O)NCC(O)=O ChemAxon formula C9H17NO3 ChemAxon inchi InChI=1S/C9H17NO3/c1-2-3-4-5-6-8(11)10-7-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13) ChemAxon inchikey RNFCYFVPNIXAHP-UHFFFAOYSA-N ChemAxon polar_surface_area 69.89 ChemAxon refractivity 49 ChemAxon polarizability 21.03 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2830 Specdb::MsIr 2831 Specdb::MsIr 2832 Specdb::CMs 11123 Specdb::CMs 40030 Specdb::CMs 149041 Specdb::MsMs 290524 Specdb::MsMs 290525 Specdb::MsMs 290526 Specdb::MsMs 330220 Specdb::MsMs 330221 Specdb::MsMs 330222 Specdb::MsMs 2307474 Specdb::MsMs 2307475 Specdb::MsMs 2307476 Specdb::MsMs 2654579 Specdb::MsMs 2654580 Specdb::MsMs 2654581 HMDB13010 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 Milk (Cow) Type 2 specific 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