Marvin  05170611382D          

 13 12  0  0  1  0            999 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  1  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  END
> <ID>
CHEBI:17752

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

> <DEFINITION>
An N6-acyl-L-lysine where the N6-acyl group is specified as acetyl.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40659; CHEBI:7409; CHEBI:12665; CHEBI:21874

> <SYNONYM>
N(zeta)-acetyl-L-lysine; N(epsilon)-acetyl-L-lysine; N6-Acetyl-L-lysine; N-Epsilon-acetyllysine; N-epsilon-Acetyl-L-lysine; N(zeta)-acetyllysine; N(6)-ACETYLLYSINE; N(6)-Acetyl-L-lysine; (2S)-6-(acetylamino)-2-aminohexanoic acid

> <IUPAC_NAME>
N(6)-acetyl-L-lysine

> <FORMULA>
C8H16N2O3

> <MASS>
188.22432

> <MONOISOTOPIC_MASS>
188.11609

> <CHARGE>
0

> <SMILES>
CC(=O)NCCCC[C@H](N)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

> <BEILSTEIN_REGISTRY_NUMBER>
1725438

> <CAS_REGISTRY_NUMBER>
692-04-6

> <GMELIN_REGISTRY_NUMBER>
747339

> <REAXYS_REGISTRY_NUMBER>
1725438

> <CHEMIDPLUS>
692-04-6

> <KEGG_COMPOUND_ACCESSION>
C02727

> <METACYC_ACCESSION>
CPD-567

> <PDBECHEM_ACCESSION>
ALY

> <WIKIPEDIA_ACCESSION>
Acetyllysine

> <PUBMED_CITATION>
1285645; 6790164; 9169194

$$$$