ChEBI
  Marvin  10200514152D          

 12 12  0  0  1  0            999 V2000
   11.6352  -15.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6352  -14.2443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9207  -15.4818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9207  -16.3068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2063  -15.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4918  -15.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7381  -15.1462    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.4056  -16.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1861  -15.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5986  -16.4738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3497  -15.4818    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   10.2063  -16.7193    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
 12  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
  9 10  1  0  0  0  0
  6  5  1  0  0  0  0
M  CHG  1   7   1
M  END
> <ID>
CHEBI:29981

> <NAME>
D-histidinium residue

> <STAR>
3

> <SYNONYM>
D-histidinium residue; D-HisH(+); -D-HisH(+)-

> <FORMULA>
C6H8N3O

> <MASS>
138.14734

> <MONOISOTOPIC_MASS>
138.06674

> <CHARGE>
1

> <SMILES>
C(*)(=O)[C@H](N*)CC=1[NH+]=CNC1

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