Ketcher 11211914582D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
    3.0311   -0.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311    0.2501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
 10  2  2  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  2  7  1  0     0  0
  7  6  1  0     0  0
  9  7  2  0     0  0
  8  3  1  0     0  0
M  END
> <ID>
CHEBI:17534

> <NAME>
6-amino-2-oxohexanoic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2170; CHEBI:12205; CHEBI:20701

> <SYNONYM>
6-Amino-2-oxohexanoate; 2-Oxo-6-aminocaproate; 2-oxo-6-aminocaproate

> <IUPAC_NAME>
6-amino-2-oxohexanoic acid

> <FORMULA>
C6H11NO3; C6H11NO3

> <MASS>
145.158

> <MONOISOTOPIC_MASS>
145.07389

> <CHARGE>
0

> <SMILES>
OC(=O)C(CCCCN)=O

> <INCHI>
InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)

> <INCHIKEY>
GWENQMVPLJAMAE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1756646

> <KEGG_COMPOUND_ACCESSION>
C03239

> <PDBECHEM_ACCESSION>
7C3

$$$$