Marvin  07191010282D          

 10  9  0  0  0  0            999 V2000
   -2.5043    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7898    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609    0.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2187    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6477    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6477   -0.4500    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  CHG  1   5  -1
M  END
> <ID>
CHEBI:11951

> <NAME>
4-acetamidobutanoate

> <DEFINITION>
A monocarboxylic acid anion that is the conjugate base of 4-acetamidobutanoic acid, arising from deprotonation of the carboxy group.

> <STAR>
3

> <SYNONYM>
N4-Acetylaminobutanoate; N-acetyl-gamma-aminobutyrate; N-acetyl-4-aminobutyrate; 4-acetamidobutanoate

> <IUPAC_NAME>
4-acetamidobutanoate

> <FORMULA>
C6H10NO3

> <MASS>
144.14850

> <MONOISOTOPIC_MASS>
144.06662

> <CHARGE>
-1

> <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)/p-1

> <INCHIKEY>
UZTFMUBKZQVKLK-UHFFFAOYSA-M

> <KEGG_COMPOUND_ACCESSION>
C02946

> <METACYC_ACCESSION>
CPD-35

> <PUBMED_CITATION>
4156831

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