1.0 2016-09-30 22:46:46 UTC 2020-05-21 16:28:42 UTC BMDB0001494 BMDB01494 Acetylphosphate Acetic acid, monoanhydride with phosphoric acid Acetyl phosphate Acetylphosphoric acid Monoacetyl phosphate Acetate, monoanhydride with phosphate Acetyl phosphoric acid Monoacetyl phosphoric acid Acetyl-p C2H5O5P 140.0319 139.987459782 (acetyloxy)phosphonic acid acetylphosphate 590-54-5 CC(=O)OP(O)(O)=O InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6) LIPOUNRJVLNBCD-UHFFFAOYSA-N belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Acyl monophosphates Acetate salts Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Acetate salt Acyl monophosphate Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid salt Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic salt Organooxygen compound Aliphatic acyclic compounds acyl monophosphate Solid logp -0.92 ALOGPS logs -0.90 ALOGPS logp -0.88 ChemAxon pka_strongest_acidic 1.24 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (acetyloxy)phosphonic acid ChemAxon average_mass 140.0319 ChemAxon mono_mass 139.987459782 ChemAxon smiles CC(=O)OP(O)(O)=O ChemAxon formula C2H5O5P ChemAxon inchi InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6) ChemAxon inchikey LIPOUNRJVLNBCD-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 23.8 ChemAxon polarizability 9.87 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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 Pyruvate Metabolism SMP0087231 Specdb::MsIr 1305 Specdb::MsIr 1306 Specdb::MsIr 1307 Specdb::NmrTwoD 1077 Specdb::NmrTwoD 1658 Specdb::CMs 8026 Specdb::CMs 174705 Specdb::MsMs 1613 Specdb::MsMs 1614 Specdb::MsMs 1615 Specdb::MsMs 257304 Specdb::MsMs 257305 Specdb::MsMs 257306 Specdb::MsMs 277242 Specdb::MsMs 277243 Specdb::MsMs 277244 Specdb::MsMs 2364808 Specdb::MsMs 2364809 Specdb::MsMs 2364810 Specdb::MsMs 2597500 Specdb::MsMs 2597501 Specdb::MsMs 2597502 Specdb::NmrOneD 1719 Specdb::NmrOneD 147920 Specdb::NmrOneD 147921 Specdb::NmrOneD 147922 Specdb::NmrOneD 147923 Specdb::NmrOneD 147924 Specdb::NmrOneD 147925 Specdb::NmrOneD 147926 Specdb::NmrOneD 147927 Specdb::NmrOneD 147928 Specdb::NmrOneD 147929 Specdb::NmrOneD 147930 Specdb::NmrOneD 147931 Specdb::NmrOneD 147932 Specdb::NmrOneD 147933 Specdb::NmrOneD 147934 Specdb::NmrOneD 147935 Specdb::NmrOneD 147936 Specdb::NmrOneD 147937 Specdb::NmrOneD 147938 Specdb::NmrOneD 147939 Placenta 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 181 FDB022653 DB02897 C00227 15350 186 C00019559 6278 Costakel, O.; Kitzoulesco, I. The possibility of acetylphosphate synthesis in cancerous and noncancerous human serum at pH 4. Rev. sci. Med., Acad. rep. populaire Roumaine (1960), 5 7-10. BMDBP00151 Acylphosphatase-1 P41500 ACYP1 Enzyme