
 demethylphosphinothricin

 20 19  0  0  0  0  0  0  0  0999 V2000
    1.2806    0.2089    0.4234 C   0  0  0  0  0
    1.0537    1.1404    1.6118 C   0  0  0  0  0
    1.4459    2.8790    1.2733 P   0  0  0  0  0
    0.4698    3.4252    0.2636 O   0  0  0  0  0
    1.0403    3.5331    2.7040 O   0  0  0  0  0
    2.7570    0.0754    0.0367 C   0  0  0  0  0
    2.9342   -0.9748   -1.0735 C   0  0  0  0  0
    2.3301   -2.0287   -1.1848 O   0  0  0  0  0
    3.9124   -0.6575   -1.9526 O   0  0  0  0  0
    3.3029    1.3879   -0.3797 N   0  0  0  0  0
    0.8819   -0.7801    0.6808 H   0  0  0  0  0
    0.6980    0.5631   -0.4366 H   0  0  0  0  0
    1.6480    0.8096    2.4706 H   0  0  0  0  0
   -0.0006    1.0893    1.9068 H   0  0  0  0  0
    2.8279    3.1456    1.1986 H   0  0  0  0  0
    0.0824    3.7283    2.7454 H   0  0  0  0  0
    3.3403   -0.2763    0.8959 H   0  0  0  0  0
    3.9266   -1.4188   -2.5717 H   0  0  0  0  0
    2.7957    1.6934   -1.2182 H   0  0  0  0  0
    4.2494    1.2138   -0.7372 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  5 16  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 18  1  0  0  0
 10 19  1  0  0  0
 10 20  1  0  0  0
M  END

>  <Chemical Name>
demethylphosphinothricin

>  <PubChem CID>
158745

>  <Formula>
C4H10NO4P

>  <Molecular Weight>
167.101000

>  <IUPAC Name>
(2S)-2-amino-4-hydroxyphosphonoylbutanoic acid

>  <XlogP>
-5.100

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C(CP(=O)O)C(C(=O)O)N

>  <Isomeric SMILES>
C(CP(=O)O)[C@@H](C(=O)O)N

>  <InChI Std. ID>
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

>  <InChI Key>
IDBRULKICVRMNG-VKHMYHEASA-N

