2.0 2015-07-03 14:17:16 -0600 2015-09-14 16:46:26 -0600 ECMDB23947 M2MDB006056 2,3-Diaminopropanoate In E.coli, 2,3-Diaminopropanoate is a substrate for the enzyme 2,3-diaminopropionate ammonia-lyase which catalyzes the reaction 2,3-diaminopropanoate + H+ + H2O → 2 ammonium + pyruvate + H+ (BioCyc compound class: 23-Diaminopropanoate). 2,3-Diaminopropanoic acid 2,3-Diaminopropionate 2,3-Diaminopropionic acid C3H8N2O2 104.109 104.058577506 2,3-diaminopropanoic acid 2,3-diaminopropionic acid NCC(N)C(O)=O InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) PECYZEOJVXMISF-UHFFFAOYSA-N logp -3.88 ALOGPS logs 0.53 ALOGPS solubility 3.52e+02 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 2.1 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac 2,3-diaminopropanoic acid ChemAxon average_mass 104.109 ChemAxon mono_mass 104.058577506 ChemAxon smiles NCC(N)C(O)=O ChemAxon formula C3H8N2O2 ChemAxon inchi InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) ChemAxon inchikey PECYZEOJVXMISF-UHFFFAOYSA-N ChemAxon polar_surface_area 89.34 ChemAxon refractivity 23.7 ChemAxon polarizability 9.88 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1085077 Specdb::NmrOneD 269438 Specdb::NmrOneD 269439 Specdb::NmrOneD 269440 Specdb::NmrOneD 269441 Specdb::NmrOneD 269442 Specdb::NmrOneD 269443 Specdb::NmrOneD 269444 Specdb::NmrOneD 269445 Specdb::NmrOneD 269446 Specdb::NmrOneD 269447 Specdb::NmrOneD 269448 Specdb::NmrOneD 269449 Specdb::NmrOneD 269450 Specdb::NmrOneD 269451 Specdb::NmrOneD 269452 Specdb::NmrOneD 269453 Specdb::NmrOneD 269454 Specdb::NmrOneD 269455 Specdb::NmrOneD 269456 Specdb::NmrOneD 269457 Specdb::MsMs 29267 Specdb::MsMs 29268 Specdb::MsMs 29269 Specdb::MsMs 35825 Specdb::MsMs 35826 Specdb::MsMs 35827 C06393 2,3-Diaminopropanoate + Water <> Pyruvic acid +2 Ammonia R00195