Ketcher 02121617502D 1   1.00000     0.00000     0

 17 16  0     1  0            999 V2000
   15.6312   -4.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4973   -5.5345    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   15.6312   -5.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8993   -5.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0332   -5.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1673   -5.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7653   -5.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7653   -6.5344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3013   -5.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4353   -5.0344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5694   -5.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7034   -5.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373   -5.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9713   -5.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1054   -5.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8993   -7.0343    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    8.7034   -4.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0     0  0
  3  2  1  0     0  0
  3  7  1  0     0  0
  7  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  9  1  0     0  0
  7  8  1  1     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  8 16  1  0     0  0
 12 17  1  1     0  0
M  CHG  2  10   1  15   1
M  END
> <ID>
CHEBI:91175

> <NAME>
hypusine(2+) residue

> <DEFINITION>
An α-amino-acid residue cation formed by protonation of the side-chain amino groups in the hypusine residue; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
hypusinium residue; hypusine residue

> <FORMULA>
C10H23N3O2

> <MASS>
217.309

> <MONOISOTOPIC_MASS>
217.17903

> <CHARGE>
2

> <SMILES>
O=C(*)[C@H](CCCC[NH2+]C[C@@H](CC[NH3+])O)N*

$$$$