Marvin  10181115072D          

  6  5  0  0  0  0            999 V2000
    8.0140   -5.8824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7284   -5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4429   -5.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8717   -5.8824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1573   -5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1573   -4.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:63070

> <NAME>
beta-alaninate

> <DEFINITION>
A β-amino-acid anion that is the conjugate base of β-alanine.

> <STAR>
3

> <SYNONYM>
beta-alaninate(1-); beta-alaninate anion

> <IUPAC_NAME>
3-aminopropanoate

> <FORMULA>
C3H6NO2

> <MASS>
88.08520

> <MONOISOTOPIC_MASS>
88.04040

> <CHARGE>
-1

> <SMILES>
NCCC([O-])=O

> <INCHI>
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1

> <INCHIKEY>
UCMIRNVEIXFBKS-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
3536336

$$$$