(2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoate
  CDK    2/12/10,15:26

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.3804   -2.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653   -2.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3403   -2.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9278   -3.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3403   -4.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6903   -4.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1028   -3.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6903   -2.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957   -2.4356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3804   -3.5155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957   -3.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1  2  2  0  0  0  0 
 11 10  1  0  0  0  0 
 10  2  1  0  0  0  0 
  9 11  2  0  0  0  0 
  8  2  1  0  0  0  0 
  4  3  2  0  0  0  0 
  7  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  7  6  1  1  0  0  0 
  7  8  1  0  0  0  0 
M  CHG  1   5  -1
M  END
> <ID>
CHEBI:57752

> <NAME>
(S)-3-(imidazol-5-yl)lactate

> <DEFINITION>
The conjugate base of (S)-3-(imidazol-5-yl)lactic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
(S)-3-(imidazol-5-yl)lactate

> <IUPAC_NAME>
(2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoate

> <FORMULA>
C6H7N2O3

> <MASS>
155.13140

> <MONOISOTOPIC_MASS>
155.04622

> <CHARGE>
-1

> <SMILES>
O[C@@H](Cc1cnc[nH]1)C([O-])=O

> <INCHI>
InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)/p-1/t5-/m0/s1

> <INCHIKEY>
ACZFBYCNAVEFLC-YFKPBYRVSA-M

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