BMRB

Biological Magnetic Resonance Data Bank


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

Pimelic Acid

Graphical representations:

Pimelic acid image

Molecular Formula: C7 H12 O4

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)

canonical and isomeric SMILES: C(CCC(=O)O)CCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
heptanedioic acid

PUBCHEM iupac TRADITIONAL NAME
pimelic acid

PubChem Substance (SID):   85165152   37915207   8145259
PubChem Compound (CID):   385
KEGG: Compound ID   C02656
CAS Registry IDs:   111-16-0
PDB Chemical Component   PML
Miscellaneous Databases and IDs:   Sigma-Aldrich 80500_FLUKA   ChEBI CHEBI:30531   BioCyc CPD-205   ChemSpider 13886620   NMRShiftDB 10016799   EPA DSSTox 1598   LipidMAPS LMFA01170051   DrugBank EXPT02618   ChemDB 3969299   NIST Chemistry WebBook 3187820982

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.