Biological Magnetic Resonance Data Bank

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

Graphical representations:


View large 3D structure

Molecular Formula: C5H8O4

Natural Isotopic Abundance Mass: 132.11462

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0422587452
  • C13N14: 137.0590329342
  • C12N15: 132.0422587452
  • C13N15: 137.0590329342

InChI string: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)

PubChem Compound (CID): 743
CAS Registry number: 68937-69-9 68603-87-2 8065-59-6 110-94-1
Sigma-Aldrich: G3407_ALDRICH
ChEBI: CHEBI:17859
ChemIDplus: 068603872
ChemSpider: 11220387
MMDB: 10189.10
EINECS: 273-081-5
NMRShiftDB: 10016798
CambridgeSoft Corporation: 4054
EPA DSSTox: 1654
LipidMAPS: LMFA01170046
DrugBank: DB03553
KEGG Compound ID: C00489
ChemDB: 3969351
NIST Chemistry WebBook: 2652803455
PDB Compound ID: GUA

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,