3-azaniumylpropanoate
  CDK    2/12/10,15:27

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.4289   -0.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0725    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   1   1
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:57966

> <NAME>
beta-alanine zwitterion

> <DEFINITION>
Zwitterionic form of β-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
beta-alanine; 3-ammoniopropanoate

> <IUPAC_NAME>
3-azaniumylpropanoate

> <FORMULA>
C3H7NO2

> <MASS>
89.09320

> <MONOISOTOPIC_MASS>
89.04768

> <CHARGE>
0

> <SMILES>
[NH3+]CCC([O-])=O

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

> <INCHIKEY>
UCMIRNVEIXFBKS-UHFFFAOYSA-N

> <GMELIN_REGISTRY_NUMBER>
454332

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