2.0 2012-10-10 12:18:37 -0600 2015-08-05 16:22:04 -0600 ECMDB23141 M2MDB003531 3-phospho-D-glyceroyl phosphate The (R)-enantiomer of 3-phosphoglyceroyl dihydrogen phosphate (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoate (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid 1,3-bisphospho-D-Glycerate 1,3-bisphospho-D-Glyceric acid 3-phospho-D-Glyceroyl phosphoric acid C3H8O10P2 266.0371 265.9592695 {[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid 1,3-bisphospho-D-glycerate O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 LJQLQCAXBUHEAZ-UWTATZPHSA-N logp -1.14 ALOGPS logs -1.44 ALOGPS solubility 9.64e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 1.01 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac {[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid ChemAxon average_mass 266.0371 ChemAxon mono_mass 265.9592695 ChemAxon smiles O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O ChemAxon formula C3H8O10P2 ChemAxon inchi InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 ChemAxon inchikey LJQLQCAXBUHEAZ-UWTATZPHSA-N ChemAxon polar_surface_area 170.82 ChemAxon refractivity 42.42 ChemAxon polarizability 18.01 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Carbon fixation in photosynthetic organisms ec00710 Glycolysis / Gluconeogenesis ec00010 Microbial metabolism in diverse environments ec01120 Metabolic pathways eco01100 Specdb::CMs 2796 Specdb::CMs 154059 Specdb::NmrOneD 9062 Specdb::NmrOneD 9063 Specdb::NmrOneD 9064 Specdb::NmrOneD 9065 Specdb::NmrOneD 9066 Specdb::NmrOneD 9067 Specdb::NmrOneD 9068 Specdb::NmrOneD 9069 Specdb::NmrOneD 9070 Specdb::NmrOneD 9071 Specdb::NmrOneD 9072 Specdb::NmrOneD 9073 Specdb::NmrOneD 9074 Specdb::NmrOneD 9075 Specdb::NmrOneD 9076 Specdb::NmrOneD 9077 Specdb::NmrOneD 9078 Specdb::NmrOneD 9079 Specdb::NmrOneD 9080 Specdb::NmrOneD 9081 Specdb::MsMs 25127 Specdb::MsMs 25128 Specdb::MsMs 25129 Specdb::MsMs 31685 Specdb::MsMs 31686 Specdb::MsMs 31687 Specdb::MsMs 2470257 Specdb::MsMs 2470258 Specdb::MsMs 2470259 Specdb::MsMs 2492663 Specdb::MsMs 2492664 Specdb::MsMs 2492665 C00236 X15 Phosphoglycerate kinase P0A799 PGK_ECOLI pgk http://ecmdb.ca/proteins/P0A799.xml Glyceraldehyde-3-phosphate dehydrogenase A P0A9B2 G3P1_ECOLI gapA http://ecmdb.ca/proteins/P0A9B2.xml Acylphosphatase P0AB65 ACYP_ECOLI yccX http://ecmdb.ca/proteins/P0AB65.xml D-Glyceraldehyde 3-phosphate + Inorganic phosphate + NAD > 3-phospho-D-glyceroyl phosphate + NADH Adenosine triphosphate + 3-Phospho-D-glycerate > ADP + 3-phospho-D-glyceroyl phosphate D-Glyceraldehyde 3-phosphate + NAD + Phosphate <> Glyceric acid 1,3-biphosphate + Hydrogen ion + NADH + 3-phospho-D-glyceroyl phosphate R01061 GAPOXNPHOSPHN-RXN Adenosine triphosphate + 3-Phospho-D-glycerate <> ADP + Glyceric acid 1,3-biphosphate + 3-phospho-D-glyceroyl phosphate R01512 3-Phosphoglyceric acid + Adenosine triphosphate + 3-Phosphoglycerate > 3-phospho-D-glyceroyl phosphate + Adenosine diphosphate + ADP PW_R003848 Adenosine triphosphate + 3 3-Phospho-D-glycerate <> ADP + Glyceric acid 1,3-biphosphate +3 3-phospho-D-glyceroyl phosphate Adenosine triphosphate + 3 3-Phospho-D-glycerate <> ADP + Glyceric acid 1,3-biphosphate +3 3-phospho-D-glyceroyl phosphate