BMRB

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:

DL-alpha,epsilon-Diaminopimelic acid image

View large 3D structure

Molecular Formula: C7 H14 N2 O4

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+

canonical and isomeric SMILES: C(CC(C(=O)O)N)CC(C(=O)O)N

PUBCHEM iupac CAS NAME: PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2,6-diaminoheptanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2,6-diaminopimelic acid

PubChem Substance (SID):   10341837   125476   154734
PubChem Compound (CID):   865
KEGG: Compound ID   n/a
CAS Registry IDs:   14289-34-0   17121-19-6   583-93-7   922-54-3
PDB Chemical Component   6CL   API
Miscellaneous Databases and IDs:   ChEBI CHEBI:23673   ChemDB 4573380   ChemIDplus 000583937   ChemSpider 842   DTP/NCI 206278   DrugBank DB03590   EINECS 209-524-6   NIST 199702543   Sigma-Aldrich D1377_SIGMA

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, https://www.nature.com/articles/sdata201773