Biological Magnetic Resonance Data Bank

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

Graphical representations:


View large 3D structure

Molecular Formula: C6H10O4

Natural Isotopic Abundance Mass: 146.1412

Mono-Isotopic Molecular Masses:

  • C12N14: 146.0579088094
  • C13N14: 152.0780378362
  • C12N15: 146.0579088094
  • C13N15: 152.0780378362

InChI string: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

PubChem Compound (CID): 196
CAS Registry number: 25666-61-9 22322-28-7 7486-38-6 3385-41-9 124-04-9 7486-39-7 23311-84-4
Sigma-Aldrich: 09582_FLUKA
ChEBI: CHEBI:30832
ChemBank: NCIOpen2_001222
HSDB: 188
ChemIDplus: 000124049
ChemSpider: 13887813
EINECS: 204-673-3
CCRIS: 812
NMRShiftDB: 10005723
EPA DSSTox: 1605
LipidMAPS: LMFA01170048
KEGG Compound ID: C06104
ChemDB: 3969304
Beilstein Handbook Reference: 4-02-00-01956
NIST Chemistry WebBook: 97630518

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,