2.0 2012-10-10 12:16:55 -0600 2015-08-05 16:22:04 -0600 ECMDB23106 M2MDB003496 (S)-1-pyrroline-5-carboxylate A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (S)-1-pyrroline-5-carboxylic acid (S)-1-Pyrroline-5-carboxylic acid Pyrroline-5-carboxylate Pyrroline-5-carboxylic acid C5H7NO2 113.1146 113.047678473 (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid L-1-pyrroline-5-carboxylate [H][C@]1(CCC=N1)C(O)=O InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1 DWAKNKKXGALPNW-BYPYZUCNSA-N logp -0.01 ALOGPS logs -0.94 ALOGPS solubility 1.31e+01 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 1.82 ChemAxon pka_strongest_basic 6.07 ChemAxon iupac (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid ChemAxon average_mass 113.1146 ChemAxon mono_mass 113.047678473 ChemAxon smiles [H][C@]1(CCC=N1)C(O)=O ChemAxon formula C5H7NO2 ChemAxon inchi InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1 ChemAxon inchikey DWAKNKKXGALPNW-BYPYZUCNSA-N ChemAxon polar_surface_area 49.66 ChemAxon refractivity 27.4 ChemAxon polarizability 10.72 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Alanine, aspartate and glutamate metabolism ec00250 Arginine and proline metabolism ec00330 Metabolic pathways eco01100 Specdb::CMs 171075 Specdb::NmrOneD 147270 Specdb::NmrOneD 147271 Specdb::NmrOneD 147272 Specdb::NmrOneD 147273 Specdb::NmrOneD 147274 Specdb::NmrOneD 147275 Specdb::NmrOneD 147276 Specdb::NmrOneD 147277 Specdb::NmrOneD 147278 Specdb::NmrOneD 147279 Specdb::NmrOneD 147280 Specdb::NmrOneD 147281 Specdb::NmrOneD 147282 Specdb::NmrOneD 147283 Specdb::NmrOneD 147284 Specdb::NmrOneD 147285 Specdb::NmrOneD 147286 Specdb::NmrOneD 147287 Specdb::NmrOneD 147288 Specdb::NmrOneD 147289 Specdb::MsMs 27791 Specdb::MsMs 27792 Specdb::MsMs 27793 Specdb::MsMs 34349 Specdb::MsMs 34350 Specdb::MsMs 34351 Specdb::MsMs 2459641 Specdb::MsMs 2459642 Specdb::MsMs 2459643 Specdb::MsMs 2476019 Specdb::MsMs 2476020 Specdb::MsMs 2476021 C03912 Bifunctional protein putA P09546 PUTA_ECOLI putA http://ecmdb.ca/proteins/P09546.xml Pyrroline-5-carboxylate reductase P0A9L8 P5CR_ECOLI proC http://ecmdb.ca/proteins/P0A9L8.xml L-Proline + acceptor > (S)-1-pyrroline-5-carboxylate + reduced acceptor (S)-1-pyrroline-5-carboxylate + NAD(P)(+) + 2 Water > L-Glutamate + NAD(P)H L-Proline + NAD + NADP <> (S)-1-pyrroline-5-carboxylate + NADH + NADPH + Hydrogen ion R01248 R01251 L-Proline + Acceptor + Quinone <> L-D-1-Pyrroline-5-carboxylic acid + Reduced acceptor + (S)-1-pyrroline-5-carboxylate + Hydroquinone R01253