ChEBI
  Marvin  12160511032D          

  6  5  0  0  0  0            999 V2000
   17.7264   -7.2812    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.0120   -6.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0120   -6.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2975   -7.2812    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.2975   -8.1062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5830   -6.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
M  CHG  1   1  -1
M  END
> <ID>
CHEBI:32439

> <NAME>
alaninate

> <DEFINITION>
An α-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group.

> <STAR>
3

> <SYNONYM>
alanine anion; alaninate

> <IUPAC_NAME>
2-aminopropanoate

> <FORMULA>
C3H6NO2

> <MASS>
88.08528

> <MONOISOTOPIC_MASS>
88.04040

> <CHARGE>
-1

> <SMILES>
CC(N)C([O-])=O

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

> <INCHIKEY>
QNAYBMKLOCPYGJ-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3903719

> <GMELIN_REGISTRY_NUMBER>
101040

$$$$