Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:

L-Lysine image

View large 3D structure

Molecular Formula: C6 H14 N2 O2

Natural Isotopic Abundance Mass: 146.1875600000

Mono-Isotopic Molecular Masses:

  • C12N14: 146.105527704
  • C13N14: 152.125656731
  • C12N15: 148.09959749
  • C13N15: 154.1197265172

InChI String: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

isomeric SMILES: C(CCN)C[C@@H](C(=O)O)N

canonical SMILES: C(CCN)CC(C(=O)O)N

(2S)-2,6-diaminohexanoic acid

PubChem Substance (SID):   85164891   148795   3349
PubChem Compound (CID):   5962
KEGG: Compound ID   C00047
CAS Registry IDs:   280114-50-3   48050-57-3   56-87-1   57282-49-2   657-27-2   6899-06-5
PDB Chemical Component   DLY   LYS   LYS_LFOH
Miscellaneous Databases and IDs:   CHEBI 18019   Beilstein Handbook Reference 4-04-00-02717   HSDB 2108   EINECS 200-294-2

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,