Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Pimelic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C7H12O4

Natural Isotopic Abundance Mass: 160.16778

Mono-Isotopic Molecular Masses:

  • C12N14: 160.0735588736
  • C13N14: 167.0970427382
  • C12N15: 160.0735588736
  • C13N15: 167.0970427382

InChI string: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

PubChem Compound (CID): 385
CAS Registry number: 111-16-0
Sigma-Aldrich: 80500_FLUKA
ChEBI: CHEBI:30531
BioCyc: CPD-205
ChemSpider: 13886620
NMRShiftDB: 10016799
EPA DSSTox: 1598
LipidMAPS: LMFA01170051
DrugBank: EXPT02618
KEGG Compound ID: C02656
ChemDB: 3969299
NIST Chemistry WebBook: 3187820982
PDB Compound ID: PML

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,