Ketcher 01071914172D 1   1.00000     0.00000     0

 11 10  0     1  0            999 V2000
    9.1465   -3.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2574   -4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4032   -3.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315   -4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1465   -2.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0009   -4.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2574   -5.4263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6598   -3.9269    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6598   -2.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7946   -4.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4012   -4.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  6  1  1  0     0  0
  5  1  2  0     0  0
  3  2  1  0     0  0
  2  7  1  1     0  0
  4  3  1  0     0  0
  8  4  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
  8 11  1  0     0  0
M  CHG  2   6  -1   7   1
M  END
> <ID>
CHEBI:142856

> <NAME>
glufosinate-P zwitterion

> <DEFINITION>
An amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of glufosinate-P.

> <STAR>
3

> <SYNONYM>
4-[hydroxy(methyl)phosphinoyl]-L-homoalanine zwitterion; (S)-glufosinate zwitterion; (2S)-glufosinate zwitterion; (2S)-2-amino-4-(hydroxymethylphosphinyl)butanoic acid zwitterion; (+)-glufosinate zwitterion

> <IUPAC_NAME>
(2S)-2-azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate; (2S)-2-azaniumyl-4-[hydroxy(methyl)phosphinoyl]butyrate

> <FORMULA>
C5H12NO4P

> <MASS>
181.127

> <MONOISOTOPIC_MASS>
181.05039

> <CHARGE>
0

> <SMILES>
C([C@H](CCP(=O)(C)O)[NH3+])([O-])=O

> <INCHI>
InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1

> <INCHIKEY>
IAJOBQBIJHVGMQ-BYPYZUCNSA-N

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