(2S)-2-azaniumyl-3-methylbutanoate
  CDK    2/12/10,15:26

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0 
  3  2  1  0  0  0  0 
  4  2  1  0  0  0  0 
  4  5  1  1  0  0  0 
  6  4  1  0  0  0  0 
  7  6  1  0  0  0  0 
  8  6  1  0  0  0  0 
M  CHG  1   3  -1
M  CHG  1   5   1
M  END
> <ID>
CHEBI:57762

> <NAME>
L-valine zwitterion

> <DEFINITION>
An L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-valine; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
L-valine; (2S)-2-ammonio-3-methylbutanoate

> <IUPAC_NAME>
(2S)-2-azaniumyl-3-methylbutanoate

> <FORMULA>
C5H11NO2

> <MASS>
117.14630

> <MONOISOTOPIC_MASS>
117.07898

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

> <INCHIKEY>
KZSNJWFQEVHDMF-BYPYZUCNSA-N

> <GMELIN_REGISTRY_NUMBER>
2826

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