Marvin  11200812382D          

 10  9  0  0  0  0            999 V2000
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 H   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  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <ID>
CHEBI:7386

> <NAME>
4-acetamidobutanal

> <STAR>
3

> <SYNONYM>
N4-Acetylaminobutanal; N-acetyl-4-aminobutanal; 4-Acetamidobutanal; 4-acetamidobutanal; 4-(acetylamino)butanal

> <IUPAC_NAME>
N-(4-oxobutyl)acetamide

> <FORMULA>
C6H11NO2

> <MASS>
129.15708

> <MONOISOTOPIC_MASS>
129.07898

> <CHARGE>
0

> <SMILES>
[H]C(=O)CCCNC(C)=O

> <INCHI>
InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)

> <INCHIKEY>
DDSLGZOYEPKPSJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1925525

> <KEGG_COMPOUND_ACCESSION>
C05936

$$$$