2-azaniumyl-3-{[(2-azaniumylethyl) phosphonato]oxy}propanoate
  CDK    2/12/10,15:26

 14 13  0  0  0  0  0  0  0  0999 V2000
   12.5210   -8.2157    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.6961   -8.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5172   -9.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3459   -8.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5172   -7.3907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851   -7.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2357   -9.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2704   -8.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2319  -10.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5481   -7.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2704   -9.0521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9504  -10.6982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8334   -8.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5481   -6.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  2  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
M  CHG  1   4  -1
M  CHG  1  11   1
M  CHG  1  12   1
M  CHG  1  13  -1
M  END
> <ID>
CHEBI:57565

> <NAME>
serine phosphoethanolamine dizwitterion

> <DEFINITION>
Dizwitterionic form of serine phosphoethanolamine having anionic carboxy and phosphate groups and both amino groups protonated.

> <STAR>
3

> <SYNONYM>
2-ammonio-3-{[(2-ammonioethoxy)phosphinato]oxy}propanoate

> <IUPAC_NAME>
2-azaniumyl-3-{[(2-azaniumylethyl) phosphinato]oxy}propanoate

> <FORMULA>
C5H13N2O6P

> <MASS>
228.14030

> <MONOISOTOPIC_MASS>
228.05112

> <CHARGE>
0

> <SMILES>
[NH3+]CCOP([O-])(=O)OCC([NH3+])C([O-])=O

> <INCHI>
InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)

> <INCHIKEY>
UQDJGEHQDNVPGU-UHFFFAOYSA-N

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