Marvin  01110613442D          

  7  6  0  0  0  0            999 V2000
    0.1807   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952    0.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5338    0.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952    0.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096   -0.3048    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627    0.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <ID>
CHEBI:30566

> <NAME>
gamma-aminobutyrate

> <DEFINITION>
An γ-amino acid anion resulting from the deprotonation of the carboxy group of γ-aminobutyric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20317; CHEBI:11961

> <SYNONYM>
gamma-aminobutyrate anion; gamma-aminobutanoate; 4-aminobutyrate; 4-Aminobutylate; 4-aminobutanoic acid ion (1-); 4-Amino-butyrat

> <IUPAC_NAME>
4-aminobutanoate

> <FORMULA>
C4H8NO2

> <MASS>
102.11186

> <MONOISOTOPIC_MASS>
102.05605

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1

> <INCHIKEY>
BTCSSZJGUNDROE-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3536873

> <GMELIN_REGISTRY_NUMBER>
559138

> <REAXYS_REGISTRY_NUMBER>
3536873

> <KEGG_COMPOUND_ACCESSION>
C00334

> <PUBMED_CITATION>
12509893

$$$$