ChEBI
  Marvin  05291216562D          

 11 11  0  0  1  0            999 V2000
   11.4709  -13.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7172  -12.8434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3847  -13.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1652  -13.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5777  -14.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3288  -13.1790    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6143  -12.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6143  -11.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8998  -13.1790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8998  -14.0040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1853  -12.7665    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  1   6  -1
M  END
> <ID>
CHEBI:32510

> <NAME>
L-histidinate(1-)

> <DEFINITION>
The L-enantiomer of histidinate(1−),

> <STAR>
3

> <SYNONYM>
L-histidine monoanion; L-histidine anion; L-histidinate(1-); (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate

> <IUPAC_NAME>
hydrogen L-histidinate

> <FORMULA>
C6H8N3O2

> <MASS>
154.14660

> <MONOISOTOPIC_MASS>
154.06220

> <CHARGE>
-1

> <SMILES>
N[C@@H](Cc1c[nH]cn1)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-M

> <BEILSTEIN_REGISTRY_NUMBER>
5434027

> <GMELIN_REGISTRY_NUMBER>
328379

> <REAXYS_REGISTRY_NUMBER>
5434027

$$$$