(2S)-2-azaniumyl-6-acetamidohexanoate
  CDK    2/12/10,15:27

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4966    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966    1.0475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7821   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7821   -1.0150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3613    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3531   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110   -0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -1.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    0.2225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  1  1  0  0  0 
  3  6  1  0  0  0  0 
 13  5  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9  1  1  0  0  0  0 
 11 10  2  0  0  0  0 
 12 10  1  0  0  0  0 
 13 10  1  0  0  0  0 
M  CHG  1   4   1
M  CHG  1   9  -1
M  END
> <ID>
CHEBI:58260

> <NAME>
N(6)-acetyl-L-lysine zwitterion

> <DEFINITION>
An amino acid zwitterion obtained via transfer of a proton from the carboxy to the amino group of N6-acetyl-L-lysine; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
N(6)-acetyl-L-lysine; (2S)-6-acetamido-2-ammoniohexanoate

> <IUPAC_NAME>
(2S)-6-acetamido-2-azaniumylhexanoate

> <FORMULA>
C8H16N2O3

> <MASS>
188.22420

> <MONOISOTOPIC_MASS>
188.11609

> <CHARGE>
0

> <SMILES>
CC(=O)NCCCC[C@H]([NH3+])C([O-])=O

> <INCHI>
InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

> <INCHIKEY>
DTERQYGMUDWYAZ-ZETCQYMHSA-N

> <METACYC_ACCESSION>
CPD-567

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