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:


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Molecular Formula: C6H14N2O2

Natural Isotopic Abundance Mass: 146.1875600000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1/f/h9H

IUPAC: (2S)-2,6-diaminohexanoic acid

PubChem Compound (CID): 5962
KEGG Compound ID: C00047
CAS Registry number: 280114-50-3 48050-57-3 56-87-1 57282-49-2 657-27-2 6899-06-5
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.

InChI string and atom numbering calculated using ALATIS (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,