Marvin  11030615402D          

  8  7  0  0  1  0            999 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  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 C   0  0  3  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   5   1
M  END
> <ID>
CHEBI:32852

> <NAME>
L-valinium

> <DEFINITION>
The L-enantiomer of  valinium.

> <STAR>
3

> <SYNONYM>
L-valine cation; (1S)-1-carboxy-2-methylpropan-1-aminium

> <IUPAC_NAME>
L-valinium

> <FORMULA>
C5H12NO2

> <MASS>
118.15432

> <MONOISOTOPIC_MASS>
118.08626

> <CHARGE>
1

> <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)/p+1/t4-/m0/s1

> <INCHIKEY>
KZSNJWFQEVHDMF-BYPYZUCNSA-O

$$$$