(2S)-2-azaniumyl-4-oxo-4-(phosphonatooxy)butanoate
  CDK    2/12/10,15:26

 13 12  0  0  0  0  0  0  0  0999 V2000
   17.2649  -15.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6925  -15.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8359  -16.4786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4070  -16.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5505  -14.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8359  -15.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4070  -15.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5505  -15.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1215  -15.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9780  -15.6536    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.2636  -16.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3906  -16.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5655  -14.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  6  3  1  1  0  0  0 
  7  2  1  0  0  0  0 
  7  4  2  0  0  0  0 
  8  5  2  0  0  0  0 
  8  6  1  0  0  0  0 
  9  6  1  0  0  0  0 
  9  7  1  0  0  0  0 
 11 10  2  0  0  0  0 
 12 10  1  0  0  0  0 
 13 10  1  0  0  0  0 
  2 10  1  0  0  0  0 
M  CHG  1   1  -1
M  CHG  1   3   1
M  CHG  1  12  -1
M  CHG  1  13  -1
M  END
> <ID>
CHEBI:57535

> <NAME>
4-phosphonato-L-aspartic acid(2-)

> <DEFINITION>
Dianionic form of 4-phosphonato-L-aspartic acid having carboxylic acid and phosphate functions in anionic form and a protonated nitrogen.

> <STAR>
3

> <SYNONYM>
4-phospho-L-aspartate; (2S)-2-ammonio-4-oxo-4-(phosphonatooxy)butanoate

> <IUPAC_NAME>
(2S)-2-azaniumyl-4-oxo-4-(phosphonatooxy)butanoate

> <FORMULA>
C4H6NO7P

> <MASS>
211.06670

> <MONOISOTOPIC_MASS>
210.98929

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/p-2/t2-/m0/s1

> <INCHIKEY>
IXZNKTPIYKDIGG-REOHCLBHSA-L

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