Marvin  01191215362D          

  9  8  0  0  0  0            999 V2000
    9.0943   -9.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105   -9.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3783   -9.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0978  -10.5947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5265   -9.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6622   -9.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2427   -9.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9553   -9.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2392   -8.5222    0.0000 O   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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <ID>
CHEBI:63638

> <NAME>
vigabatrin

> <DEFINITION>
A γ-amino acid having a γ-vinyl GABA structure. It is an irreversible inhibitor of γ-aminobutyric 664 acid transaminase

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9979

> <SYNONYM>
GVG; gamma-vinyl-gamma-aminobutyric acid; gamma-vinyl GABA; gamma-vinyl GABA; gamma-Vinyl GABA; 4-Amino-5-hexenoic acid

> <IUPAC_NAME>
4-aminohex-5-enoic acid

> <INN>
vigabatrinum; vigabatrine; vigabatrina; vigabatrin

> <FORMULA>
C6H11NO2

> <MASS>
129.15700

> <MONOISOTOPIC_MASS>
129.07898

> <CHARGE>
0

> <SMILES>
NC(CCC(O)=O)C=C

> <INCHI>
InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)

> <INCHIKEY>
PJDFLNIOAUIZSL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
60643-86-9

> <CHEMIDPLUS>
60643-86-9

> <DRUGBANK_ACCESSION>
DB01080

> <KEGG_COMPOUND_ACCESSION>
C07500

> <KEGG_DRUG_ACCESSION>
D00535

> <LINCS_ACCESSION>
LSM-4959

> <WIKIPEDIA_ACCESSION>
Vigabatrin

> <PUBMED_CITATION>
20018576; 20878340; 20926323; 21361740; 22061177; 22061178; 22061182; 22234618

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