(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-aminium
  CDK    2/12/10,15:26

 10 10  0  0  0  0  0  0  0  0999 V2000
   11.3277   -4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6133   -5.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8988   -4.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6133   -6.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1842   -5.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3995   -4.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9149   -5.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4001   -6.2975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1847   -6.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0422   -5.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  1  0  0  0 
  3  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  9  2  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
 10  1  1  0  0  0  0 
M  CHG  1   4   1
M  END
> <ID>
CHEBI:57699

> <NAME>
L-histidinol(1+)

> <DEFINITION>
An ammonium ion that is the conjugate acid of L-histidinol arising from protonation of the primary amino function; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
L-histidinol cation; L-histidinol

> <IUPAC_NAME>
(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-aminium

> <FORMULA>
C6H12N3O

> <MASS>
142.17900

> <MONOISOTOPIC_MASS>
142.09749

> <CHARGE>
1

> <SMILES>
[NH3+][C@H](CO)Cc1c[nH]cn1

> <INCHI>
InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1

> <INCHIKEY>
ZQISRDCJNBUVMM-YFKPBYRVSA-O

> <METACYC_ACCESSION>
HISTIDINOL

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