Marvin  06140611582D          

 10  9  0  0  0  0            999 V2000
    2.5006   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  9  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:25094

> <NAME>
lysine

> <DEFINITION>
A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.

> <STAR>
3

> <SYNONYM>
Lysin; LYS; K; alpha,epsilon-diaminocaproic acid

> <IUPAC_NAME>
lysine; 2,6-diaminohexanoic acid

> <FORMULA>
C6H14N2O2

> <MASS>
146.18764

> <MONOISOTOPIC_MASS>
146.10553

> <CHARGE>
0

> <SMILES>
NCCCCC(N)C(O)=O

> <INCHI>
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)

> <INCHIKEY>
KDXKERNSBIXSRK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1616991

> <CAS_REGISTRY_NUMBER>
70-54-2

> <GMELIN_REGISTRY_NUMBER>
279284

> <REAXYS_REGISTRY_NUMBER>
1616991

> <CHEMIDPLUS>
70-54-2

> <KEGG_COMPOUND_ACCESSION>
C16440

> <NIST_CHEMISTRY_WEBBOOK>
70-54-2

> <WIKIPEDIA_ACCESSION>
Lysine

> <PUBMED_CITATION>
17439666; 22264337

$$$$