ChEBI
  Marvin  10200514132D          

 12 12  0  0  1  0            999 V2000
   20.7401   -9.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7401   -8.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0257   -9.4781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0257  -10.3031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3112   -9.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5967   -9.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8431   -9.1425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5105  -10.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2910   -9.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7035  -10.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4546   -9.4781    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   19.3112  -10.7156    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  1  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  END
> <ID>
CHEBI:29979

> <NAME>
L-histidine residue

> <STAR>
3

> <SYNONYM>
L-histidyl; L-histidine residue; L-histidine residue; L-histidine base residue; L-histidine; His; H; -His-

> <FORMULA>
C6H7N3O

> <MASS>
137.13940

> <MONOISOTOPIC_MASS>
137.05891

> <CHARGE>
0

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

$$$$