2.0 2015-06-04 15:19:26 -0600 2015-08-05 16:22:04 -0600 ECMDB23798 M2MDB004380 Glufosinate Conjugate base of phosphinothricin arising from deprotonation of the phosphinate function (2S)-2-amino-4-(Hydroxyphosphinyl)butanoate (2S)-2-amino-4-(Hydroxyphosphinyl)butanoic acid Glufosinic acid C4H10NO4P 167.101 167.034744804 (2S)-2-amino-4-(hydroxyphosphonoyl)butanoic acid (2S)-2-amino-4-(hydroxyphosphonoyl)butanoic acid 51276-47-2 [H]P(O)(=O)CC[C@H](N)C(O)=O InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1 IDBRULKICVRMNG-VKHMYHEASA-N logp -2.78 ALOGPS logs -0.67 ALOGPS solubility 3.58e+01 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 1.98 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac (2S)-2-amino-4-(hydroxyphosphonoyl)butanoic acid ChemAxon average_mass 167.101 ChemAxon mono_mass 167.034744804 ChemAxon smiles [H]P(O)(=O)CC[C@H](N)C(O)=O ChemAxon formula C4H10NO4P ChemAxon inchi InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1 ChemAxon inchikey IDBRULKICVRMNG-VKHMYHEASA-N ChemAxon polar_surface_area 100.62 ChemAxon refractivity 34.52 ChemAxon polarizability 14.15 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Phosphonate and phosphinate metabolism ec00440 Specdb::CMs 1084663 Specdb::NmrOneD 286755 Specdb::NmrOneD 286756 Specdb::NmrOneD 286757 Specdb::NmrOneD 286758 Specdb::NmrOneD 286759 Specdb::NmrOneD 286760 Specdb::NmrOneD 286761 Specdb::NmrOneD 286762 Specdb::NmrOneD 286763 Specdb::NmrOneD 286764 Specdb::NmrOneD 286765 Specdb::NmrOneD 286766 Specdb::NmrOneD 286767 Specdb::NmrOneD 286768 Specdb::NmrOneD 286769 Specdb::NmrOneD 286770 Specdb::NmrOneD 286771 Specdb::NmrOneD 286772 Specdb::NmrOneD 286773 Specdb::NmrOneD 286774 Specdb::MsMs 27752 Specdb::MsMs 27753 Specdb::MsMs 27754 Specdb::MsMs 34310 Specdb::MsMs 34311 Specdb::MsMs 34312 C05042 predicted acyltransferase with acyl-CoA N-acyltransferase domain P76112 yncA http://ecmdb.ca/proteins/P76112.xml Acetyl-CoA + + Glufosinate <> Coenzyme A + N-Acetylphosphinothricin + N-Acetylphosphinothricin R08938