Marvin  07030713042D          

  6  5  0  0  1  0            999 V2000
    1.8187    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5331   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.0125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3897    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  1  6  0  0  0
M  CHG  1   5   1
M  END
> <ID>
CHEBI:32436

> <NAME>
D-alaninium

> <DEFINITION>
An alaninium that is the conjugate acid of D-alanine.

> <STAR>
3

> <SYNONYM>
D-alanine cation; (1R)-1-carboxyethanaminium

> <IUPAC_NAME>
D-alaninium

> <FORMULA>
C3H8NO2

> <MASS>
90.10116

> <MONOISOTOPIC_MASS>
90.05495

> <CHARGE>
1

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

> <INCHI>
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1/t2-/m1/s1

> <INCHIKEY>
QNAYBMKLOCPYGJ-UWTATZPHSA-O

$$$$