Ketcher 09231510572D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   13.3132   -4.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3132   -5.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1765   -6.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0399   -5.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0399   -4.7354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9099   -6.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4432   -6.2342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  7  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  4  6  1  0     0  0
M  CHG  1   6  -1
M  END
> <ID>
CHEBI:87997

> <NAME>
3-aminobutyrate

> <DEFINITION>
A branched-chain amino-acid anion that is the conjugate base of 3-aminobutyric acid, obtained by deprotonation of the carboxy group.

> <STAR>
3

> <IUPAC_NAME>
3-aminobutanoate

> <FORMULA>
C4H8NO2

> <MASS>
102.112

> <MONOISOTOPIC_MASS>
102.05605

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1

> <INCHIKEY>
OQEBBZSWEGYTPG-UHFFFAOYSA-M

$$$$