Ketcher 08211916422D 1   1.00000     0.00000     0

 18 17  0     0  0            999 V2000
   -2.3885    5.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2544    4.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1205    5.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9865    4.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8526    5.0166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564    6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5224    4.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5224    3.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3885    3.0166    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097    4.5167    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7185    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5845    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4505    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5845    6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3166    5.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4505    3.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1826    4.5168    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
  5 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
 14 16  1  0     0  0
 14 17  1  6     0  0
 16 18  1  0     0  0
M  CHG  1   5   1
M  END
> <ID>
CHEBI:144587

> <NAME>
N(6)-(D-erythrulosyl)-L-lysinium residue

> <STAR>
2

> <SYNONYM>
N(6)-(D-erythrulosyl)-L-lysine residue

> <FORMULA>
C10H19N2O4

> <MASS>
231.269

> <MONOISOTOPIC_MASS>
231.13448

> <CHARGE>
1

> <SMILES>
C([C@@H](C(*)=O)N*)CCC[NH2+]CC([C@@H](CO)O)=O

$$$$