ChEBI


 11 11  0  0  1  0  0  0  0  0  2 V2000
   18.2902  -19.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5085  -18.2640    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   17.5085  -20.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2436  -18.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2436  -20.0050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2802  -21.6436    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.6152  -20.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2802  -19.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2852  -20.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6202  -21.6436    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.6202  -19.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
  1 11  1  0  0  0  0
M  CHG  3   2   1   6  -1  10   1
M  END
> <ID>
CHEBI:32513

> <NAME>
L-histidinium(1+)

> <DEFINITION>
The L-enantiomer of histidinium(1+).

> <STAR>
3

> <SYNONYM>
L-histidinium(1+); L-histidine monocation; (2S)-2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate

> <IUPAC_NAME>
L-histidinium

> <FORMULA>
C6H10N3O2

> <MASS>
156.16262

> <MONOISOTOPIC_MASS>
156.07675

> <CHARGE>
1

> <SMILES>
[NH3+][C@@H](Cc1c[nH]c[nH+]1)C([O-])=O

> <INCHI>
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1

> <INCHIKEY>
HNDVDQJCIGZPNO-YFKPBYRVSA-O

> <GMELIN_REGISTRY_NUMBER>
1245285

$$$$