1.0 2011-09-21 00:17:55 UTC 2019-11-26 03:21:05 UTC FDB022686 2-Keto-glutaramic acid deaminated metabolite of glutamine in csf of patients with hepatic coma; intermediate in the detoxification of ammonia in brain; structure [HMDB] 2-keto-glutaramate 2-Ketoglutaramate 2-Ketoglutaramic acid 2-oxoglutaramate 2-Oxoglutaramic acid a-Ketoglutaramate a-Ketoglutaramic acid alpha-ketoglutaramate alpha-Ketoglutaramic acid α-ketoglutaramate α-ketoglutaramic acid C5H7NO4 145.1134 145.037507717 4-carbamoyl-2-oxobutanoic acid 2-keto-glutaramate 18465-19-5 NC(=O)CCC(=O)C(O)=O InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) COJBGNAUUSNXHX-UHFFFAOYSA-N belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Short-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Aliphatic acyclic compounds Alpha-hydroxy ketones Alpha-keto acids and derivatives Carboxylic acids Fatty amides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty amide Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Short-chain keto acid 2-oxo monocarboxylic acid Solid logp -1.43 ALOGPS logs -0.74 ALOGPS solubility 2.67e+01 g/l ALOGPS logp -0.92 ChemAxon pka_strongest_acidic 2.97 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 4-carbamoyl-2-oxobutanoic acid ChemAxon average_mass 145.1134 ChemAxon mono_mass 145.037507717 ChemAxon smiles NC(=O)CCC(=O)C(O)=O ChemAxon formula C5H7NO4 ChemAxon inchi InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) ChemAxon inchikey COJBGNAUUSNXHX-UHFFFAOYSA-N ChemAxon polar_surface_area 97.46 ChemAxon refractivity 30.71 ChemAxon polarizability 12.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1335 Specdb::MsIr 1336 Specdb::MsIr 1337 Specdb::CMs 13978 Specdb::CMs 38122 Specdb::CMs 173808 Specdb::MsMs 23648 Specdb::MsMs 23649 Specdb::MsMs 23650 Specdb::MsMs 30446 Specdb::MsMs 30447 Specdb::MsMs 30448 Specdb::MsMs 2802538 Specdb::MsMs 2802539 Specdb::MsMs 2802540 Specdb::MsMs 2878952 Specdb::MsMs 2878953 Specdb::MsMs 2878954 Specdb::NmrOneD 148160 Specdb::NmrOneD 148161 Specdb::NmrOneD 148162 Specdb::NmrOneD 148163 Specdb::NmrOneD 148164 Specdb::NmrOneD 148165 Specdb::NmrOneD 148166 Specdb::NmrOneD 148167 Specdb::NmrOneD 148168 Specdb::NmrOneD 148169 Specdb::NmrOneD 148170 Specdb::NmrOneD 148171 Specdb::NmrOneD 148172 Specdb::NmrOneD 148173 Specdb::NmrOneD 148174 Specdb::NmrOneD 148175 Specdb::NmrOneD 148176 Specdb::NmrOneD 148177 Specdb::NmrOneD 148178 Specdb::NmrOneD 148179 HMDB01552 16769 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 Kynurenine--oxoglutarate transaminase 1 Q16773 CCBL1