2.0 2015-06-04 15:14:44 -0600 2015-08-05 16:22:04 -0600 ECMDB23775 M2MDB004250 3-Amino-2-oxopropyl phosphate A oxoalkyl phosphate having 3-amino-2-oxopropyl as the oxoalkyl group 1-amino-3-(Phosphohydroxy)propan-2-one 3-amino-2-Oxopropyl phosphoric acid C3H8NO5P 169.073 169.01400936 (3-amino-2-oxopropoxy)phosphonic acid 3-amino-2-oxopropyl phosphate NCC(=O)COP(O)(O)=O InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8) HIQNVODXENYOFK-UHFFFAOYSA-N logp -2.04 ALOGPS logs -0.92 ALOGPS solubility 2.01e+01 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 1.21 ChemAxon pka_strongest_basic 7.77 ChemAxon iupac (3-amino-2-oxopropoxy)phosphonic acid ChemAxon average_mass 169.073 ChemAxon mono_mass 169.01400936 ChemAxon smiles NCC(=O)COP(O)(O)=O ChemAxon formula C3H8NO5P ChemAxon inchi InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8) ChemAxon inchikey HIQNVODXENYOFK-UHFFFAOYSA-N ChemAxon polar_surface_area 109.85 ChemAxon refractivity 32.13 ChemAxon polarizability 13.09 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Vitamin B6 metabolism ec00750 Metabolic pathways eco01100 Specdb::CMs 1084656 Specdb::NmrOneD 279558 Specdb::NmrOneD 279559 Specdb::NmrOneD 279560 Specdb::NmrOneD 279561 Specdb::NmrOneD 279562 Specdb::NmrOneD 279563 Specdb::NmrOneD 279564 Specdb::NmrOneD 279565 Specdb::NmrOneD 279566 Specdb::NmrOneD 279567 Specdb::NmrOneD 279568 Specdb::NmrOneD 279569 Specdb::NmrOneD 279570 Specdb::NmrOneD 279571 Specdb::NmrOneD 279572 Specdb::NmrOneD 279573 Specdb::NmrOneD 279574 Specdb::NmrOneD 279575 Specdb::NmrOneD 279576 Specdb::NmrOneD 279577 Specdb::MsMs 25271 Specdb::MsMs 25272 Specdb::MsMs 25273 Specdb::MsMs 31829 Specdb::MsMs 31830 Specdb::MsMs 31831 C11638 Pyridoxine 5'-phosphate synthase P0A794 PDXJ_ECOLI pdxJ http://ecmdb.ca/proteins/P0A794.xml 4-hydroxythreonine-4-phosphate dehydrogenase P19624 PDXA_ECOLI pdxA http://ecmdb.ca/proteins/P19624.xml NAD + 2-Amino-3-oxo-4-phosphonooxybutyrate + O-Phospho-4-hydroxy-L-threonine <> 3-Amino-2-oxopropyl phosphate + Carbon dioxide + NADH + Hydrogen ion R05837 3-Amino-2-oxopropyl phosphate + 1-Deoxy-D-xylulose 5-phosphate + 3-Amino-2-oxopropyl phosphate <> Pyridoxine 5'-phosphate + Phosphate +2 Water R05838 3 3-Amino-2-oxopropyl phosphate + 1-Deoxy-D-xylulose 5-phosphate <> Pyridoxine 5'-phosphate + Phosphate +2 Water