ChEBI
  Marvin  11170617002D          

 10  9  0  0  0  0            999 V2000
   12.4169  -11.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1314  -11.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8459  -10.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8459  -11.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5603  -11.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7024  -11.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9880  -11.1822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5590  -11.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2735  -11.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2735  -12.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <ID>
CHEBI:17645

> <NAME>
4-acetamidobutanoic acid

> <DEFINITION>
An N-acyl-γ-aminobutyric acid resulting from the monoacetylation of the nitrogen of GABA.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20303; CHEBI:1777

> <SYNONYM>
N4-Acetylaminobutanoic acid; N-Acetyl-4-aminobutyric acid; N-Acetyl-4-aminobutanoic acid; 4-Acetamidobutyric acid

> <IUPAC_NAME>
4-acetamidobutanoic acid; 4-(acetylamino)butanoic acid

> <FORMULA>
C6H11NO3

> <MASS>
145.15648

> <MONOISOTOPIC_MASS>
145.07389

> <CHARGE>
0

> <SMILES>
CC(=O)NCCCC(O)=O

> <INCHI>
InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)

> <INCHIKEY>
UZTFMUBKZQVKLK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3025-96-5

> <REAXYS_REGISTRY_NUMBER>
1762288

> <CHEMIDPLUS>
3025-96-5

> <KEGG_COMPOUND_ACCESSION>
C02946

> <PUBMED_CITATION>
22770225

$$$$