Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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DL-alpha,epsilon-Diaminopimelic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C7H14N2O4

Natural Isotopic Abundance Mass: 190.19706

Mono-Isotopic Molecular Masses:

  • C12N14: 190.0953569482
  • C13N14: 197.1188408128
  • C12N15: 192.0894267346
  • C13N15: 199.1129105992

InChI string: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+

CAS Registry number: 14289-34-0 17121-19-6 583-93-7 922-54-3
ChEBI: CHEBI:23673
ChemDB: 4573380
ChemIDplus: 000583937
ChemSpider: 842
DTP/NCI: 206278
DrugBank: DB03590
EINECS: 209-524-6
NIST: 199702543
PDB Compound ID: 6CL API
PubChem Compound (CID): 865
Sigma-Aldrich: D1377_SIGMA

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,