1.0 2016-09-30 22:41:05 UTC 2020-05-21 16:28:26 UTC BMDB0001096 BMDB01096 Carbamoylphosphate Aminocarbonyl dihydrogen phosphate Carbamic phosphoric monoanhydride Carbamyl phosphate Monocarbamoyl phosphate Phosphoric acid mono(formamide)ester Aminocarbonyl dihydrogen phosphoric acid Carbamoyl phosphoric acid Carbamyl phosphoric acid Monocarbamoyl phosphoric acid Phosphate mono(formamide)ester Carbamic acid monoanhydride with phosphorate Carbamic acid monoanhydride with phosphoric acid Carbamoyl-P Carbamoyl-phosphate Carbamoylphosphate Carbamyl-phosphate Phosphate, carbamyl Phosphate, carbamoyl (Carbamoyloxy)phosphonic acid Carbamoyl phosphate CH4NO5P 141.0199 140.982708755 (carbamoyloxy)phosphonic acid carbamoyl-phosphate 590-55-6 NC(=O)OP(O)(O)=O InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6) FFQKYPRQEYGKAF-UHFFFAOYSA-N belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof. Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Organic phosphoric acids and derivatives Carboximidic acids and derivatives Hydrocarbon derivatives Imines Organic oxides Organooxygen compounds Organopnictogen compounds Aliphatic acyclic compound Carboximidic acid derivative Hydrocarbon derivative Imine Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Aliphatic acyclic compounds acyl monophosphate one-carbon compound Solid logp -1.52 ALOGPS logs -0.96 ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 1.1 ChemAxon iupac (carbamoyloxy)phosphonic acid ChemAxon average_mass 141.0199 ChemAxon mono_mass 140.982708755 ChemAxon smiles NC(=O)OP(O)(O)=O ChemAxon formula CH4NO5P ChemAxon inchi InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6) ChemAxon inchikey FFQKYPRQEYGKAF-UHFFFAOYSA-N ChemAxon polar_surface_area 109.85 ChemAxon refractivity 22.48 ChemAxon polarizability 9.12 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 Ammonia Recycling SMP0087177 Arginine and Proline Metabolism SMP0087178 Aspartate Metabolism SMP0087165 Glutamate Metabolism SMP0087169 Pyrimidine Metabolism SMP0087247 Urea Cycle SMP0087224 Specdb::MsIr 1068 Specdb::MsIr 1069 Specdb::MsIr 1070 Specdb::CMs 2852 Specdb::CMs 133803 Specdb::CMs 141537 Specdb::MsMs 20381 Specdb::MsMs 20382 Specdb::MsMs 20383 Specdb::MsMs 21932 Specdb::MsMs 21933 Specdb::MsMs 21934 Specdb::MsMs 2718123 Specdb::MsMs 2718124 Specdb::MsMs 2718125 Specdb::MsMs 2963907 Specdb::MsMs 2963908 Specdb::MsMs 2963909 Specdb::NmrOneD 275278 Specdb::NmrOneD 275279 Specdb::NmrOneD 275280 Specdb::NmrOneD 275281 Specdb::NmrOneD 275282 Specdb::NmrOneD 275283 Specdb::NmrOneD 275284 Specdb::NmrOneD 275285 Specdb::NmrOneD 275286 Specdb::NmrOneD 275287 Specdb::NmrOneD 275288 Specdb::NmrOneD 275289 Specdb::NmrOneD 275290 Specdb::NmrOneD 275291 Specdb::NmrOneD 275292 Specdb::NmrOneD 275293 Specdb::NmrOneD 275294 Specdb::NmrOneD 275295 Specdb::NmrOneD 275296 Specdb::NmrOneD 275297 Spleen Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C00169 272 FDB022424 278 17672 C00007513 CARBAMOYL-P 34125 Carbamoyl phosphate 6002 BMDBP00953 Ornithine carbamoyltransferase, mitochondrial Q9N1U7 OTC Enzyme BMDBP02849 Carbamoyl-phosphate synthetase 2, aspartate transcarbamylase, and dihydroorotase F1MVC0 CAD Enzyme BMDBP02855 Carbamoyl-phosphate synthase 1 F1ML89 CPS1 Enzyme