Marvin  02150917092D          

  7  6  0  0  0  0            999 V2000
   -0.5103    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393    0.0589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -0.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186    0.8839    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
  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
M  END
> <ID>
CHEBI:17769

> <NAME>
4-aminobutanal

> <DEFINITION>
An ω-aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1785; CHEBI:11960; CHEBI:20316

> <SYNONYM>
Butyraldehyde, 4-amino-; 4-Aminobutyraldehyde; 4-Aminobutanal; 4-Aminobutanal; 4-amino-butyraldehyde

> <IUPAC_NAME>
4-aminobutanal

> <FORMULA>
C4H9NO

> <MASS>
87.12040

> <MONOISOTOPIC_MASS>
87.06841

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2

> <INCHIKEY>
DZQLQEYLEYWJIB-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C00555

> <KNAPSACK_ACCESSION>
C00019656

$$$$