Mrv0541 01191512082D          

  7  6  0  0  0  0            999 V2000
    2.3664   -0.5678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6519   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0809   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953   -0.5678    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9376   -0.5678    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0809    0.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3664   -1.3928    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
M  CHG  3   4  -1   5   1   7   1
M  END
> <ID>
CHEBI:84374

> <NAME>
3-ammonio-L-alanine(1+)

> <DEFINITION>
An α-amino-acid cation that is the conjugate acid of 3-amino-L-alanine.

> <STAR>
3

> <SYNONYM>
(S)-2,3-diaminopropanoate(1+); (2S)-2,3-diammoniopropanoate

> <IUPAC_NAME>
(2S)-2,3-diazaniumylpropanoate

> <FORMULA>
C3H9N2O2

> <MASS>
105.11520

> <MONOISOTOPIC_MASS>
105.06585

> <CHARGE>
1

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

> <INCHI>
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+1/t2-/m0/s1

> <INCHIKEY>
PECYZEOJVXMISF-REOHCLBHSA-O

$$$$