Ketcher 02232210332D 1   1.00000     0.00000     0

 18 17  0     0  0            999 V2000
    0.4330    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308    0.2499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    1.2502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.2502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -1.7501    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    3.0312   -0.2499    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7630    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6289   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4950    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3610   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2268    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.2502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  6  1  0     0  0
  8  6  1  0     0  0
  1  8  1  0     0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  7  2  0     0  0
  8  9  1  1     0  0
  9 10  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  5 12  1  0     0  0
 12 18  2  0     0  0
M  END
> <ID>
CHEBI:189850

> <NAME>
N(6)-hexanoyl-L-lysine residue

> <STAR>
2

> <SYNONYM>
N(6)-hexanoyl-L-lysine residue

> <FORMULA>
C12H22N2O2

> <MASS>
226.316

> <MONOISOTOPIC_MASS>
226.16813

> <CHARGE>
0

> <SMILES>
C([C@@H](C(*)=O)N*)CCCNC(CCCCC)=O

$$$$