1.0 2020-03-10 17:01:54 UTC 2020-04-22 18:56:19 UTC BMDB0096143 BMDB96143 gamma-Carboxyglutamic acid g-Carboxyglutamate g-Carboxyglutamic acid gamma-Carboxyglutamate Γ-carboxyglutamate Γ-carboxyglutamic acid 1-Carboxyglutamic acid 3-Amino-1,1,3-propanetricarboxylic acid 1 Carboxyglutamic acid gamma Carboxyglutamate gamma Carboxyglutamic acid 1-Aminopropane-1,3,3-tricarboxylate gamma-Carboxyglutamic acid C6H9NO6 191.1388 191.042987025 1-aminopropane-1,3,3-tricarboxylic acid carboxyglutamic acid 53445-96-8 NC(CC(C(O)=O)C(O)=O)C(O)=O InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13) UHBYWPGGCSDKFX-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids 1,3-dicarbonyl compounds Amino acids Amino fatty acids Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Tricarboxylic acids and derivatives 1,3-dicarbonyl compound Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Fatty acyl Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp -3.02 ALOGPS logs -0.93 ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 1.48 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 1-aminopropane-1,3,3-tricarboxylic acid ChemAxon average_mass 191.1388 ChemAxon mono_mass 191.042987025 ChemAxon smiles NC(CC(C(O)=O)C(O)=O)C(O)=O ChemAxon formula C6H9NO6 ChemAxon inchi InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13) ChemAxon inchikey UHBYWPGGCSDKFX-UHFFFAOYSA-N ChemAxon polar_surface_area 137.92 ChemAxon refractivity 37.58 ChemAxon polarizability 16.24 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 9436 Specdb::MsIr 9437 Specdb::MsIr 9438 Specdb::CMs 16898 Specdb::CMs 47605 Specdb::CMs 168555 Specdb::NmrOneD 50402 Specdb::NmrOneD 50403 Specdb::NmrOneD 50404 Specdb::NmrOneD 50405 Specdb::NmrOneD 50406 Specdb::NmrOneD 50407 Specdb::NmrOneD 50408 Specdb::NmrOneD 50409 Specdb::NmrOneD 50410 Specdb::NmrOneD 50411 Specdb::NmrOneD 50412 Specdb::NmrOneD 50413 Specdb::NmrOneD 50414 Specdb::NmrOneD 50415 Specdb::NmrOneD 50416 Specdb::NmrOneD 50417 Specdb::NmrOneD 50418 Specdb::NmrOneD 50419 Specdb::NmrOneD 50420 Specdb::NmrOneD 50421 Specdb::MsMs 7979 Specdb::MsMs 7980 Specdb::MsMs 7981 Specdb::MsMs 14651 Specdb::MsMs 14652 Specdb::MsMs 14653 Specdb::MsMs 2833026 Specdb::MsMs 2833027 Specdb::MsMs 2833028 Specdb::MsMs 2849057 Specdb::MsMs 2849058 Specdb::MsMs 2849059 37241 FDB111677 40772 Carboxyglutamic acid