2.0 2012-05-31 14:02:14 -0600 2015-06-03 15:54:37 -0600 ECMDB04014 M2MDB000559 1-Amino-propan-2-one-3-phosphate 1-amino-propan-2-one-3-phosphate is a normal E coli metabolite in pyridoxal 5'-phosphate biosynthesis pathway. It is formed by the conversion from (2S)-2-amino-3-oxo-4-phosphonooxybutanoate. With 1-deoxy-D-xylulose 5-phosphate, it is converted to pyridoxine-5'-phosphate. (EcoCyc) 1-Amino-3-(phosphohydroxy)propan-2-one 1-Amino-propan-2-one-3-phosphate 1-amino-Propan-2-one-3-phosphoric acid 2-Amino-3-phosphonopropanoate 2-Amino-3-phosphonopropanoic acid 2-Amino-3-phosphonopropionate 2-Amino-3-phosphonopropionic acid 3-Amino-2-oxopropyl phosphate 3-amino-2-Oxopropyl phosphoric acid D-Alanyl-phosphate D-Alanyl-phosphoric acid Glyphosate Glyphosic acid Phosphonoalanine C3H8NO5P 169.0731 169.014008883 2-amino-3-phosphonopropanoic acid phosphonoalanine 5652-28-8 NC(CP(O)(O)=O)C(O)=O InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) LBTABPSJONFLPO-UHFFFAOYSA-N Solid Cytoplasm Periplasm logp -2.49 ALOGPS logs -0.69 ALOGPS solubility 3.47e+01 g/l ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 1.4 ChemAxon pka_strongest_basic 9.83 ChemAxon iupac 2-amino-3-phosphonopropanoic acid ChemAxon average_mass 169.0731 ChemAxon mono_mass 169.014008883 ChemAxon smiles NC(CP(O)(O)=O)C(O)=O ChemAxon formula C3H8NO5P ChemAxon inchi InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) ChemAxon inchikey LBTABPSJONFLPO-UHFFFAOYSA-N ChemAxon polar_surface_area 120.85 ChemAxon refractivity 31.08 ChemAxon polarizability 12.85 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Phosphonate and phosphinate metabolism ec00440 pyridoxal 5'-phosphate biosynthesis I PYRIDOXSYN-PWY Specdb::CMs 1436 Specdb::CMs 2682 Specdb::CMs 31135 Specdb::CMs 37473 Specdb::CMs 134693 Specdb::CMs 142427 Specdb::CMs 1059787 Specdb::CMs 1059788 Specdb::CMs 1059790 Specdb::CMs 1059792 Specdb::CMs 1059794 Specdb::NmrOneD 1348 Specdb::NmrOneD 5136 Specdb::NmrOneD 5137 Specdb::NmrOneD 6642 Specdb::NmrOneD 6643 Specdb::NmrOneD 6644 Specdb::NmrOneD 6645 Specdb::NmrOneD 6646 Specdb::NmrOneD 6647 Specdb::NmrOneD 6648 Specdb::NmrOneD 6649 Specdb::NmrOneD 6650 Specdb::NmrOneD 6651 Specdb::NmrOneD 6652 Specdb::NmrOneD 6653 Specdb::NmrOneD 6654 Specdb::NmrOneD 6655 Specdb::NmrOneD 6656 Specdb::NmrOneD 6657 Specdb::NmrOneD 6658 Specdb::NmrOneD 6659 Specdb::NmrOneD 6660 Specdb::NmrOneD 6661 Specdb::NmrOneD 166587 Specdb::MsMs 585 Specdb::MsMs 586 Specdb::MsMs 587 Specdb::MsMs 4036 Specdb::MsMs 4037 Specdb::MsMs 4038 Specdb::MsMs 4039 Specdb::MsMs 4040 Specdb::MsMs 4041 Specdb::MsMs 4042 Specdb::MsMs 4043 Specdb::MsMs 4044 Specdb::MsMs 4045 Specdb::MsMs 182700 Specdb::MsMs 182701 Specdb::MsMs 182702 Specdb::MsMs 183048 Specdb::MsMs 183049 Specdb::MsMs 183050 Specdb::MsMs 437231 Specdb::MsMs 437232 Specdb::MsMs 437233 Specdb::MsMs 437234 Specdb::MsMs 437235 Specdb::MsMs 445701 Specdb::NmrTwoD 1290 HMDB00370 3857 3723 C05672 1-AMINO-PROPAN-2-ONE-3-PHOSPHATE Keseler, I. 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Journal of Organic Chemistry (1990), 55(14), 4472-4. 4-hydroxythreonine-4-phosphate dehydrogenase P19624 PDXA_ECOLI pdxA http://ecmdb.ca/proteins/P19624.xml 2-Amino-3-oxo-4-phosphonooxybutyrate + Hydrogen ion > 1-Amino-propan-2-one-3-phosphate + Carbon dioxide RXN-8447 1-Amino-propan-2-one-3-phosphate + 1-Deoxy-D-xylulose 5-phosphate > Hydrogen ion + Pyridoxine 5'-phosphate + Phosphate + Water PDXJ-RXN