BMRB

Biological Magnetic Resonance Data Bank


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

Adipic acid

Graphical representations:

Adipic acid image

Molecular Formula: C6 H10 O4

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)

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

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
hexanedioic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
adipic acid

PubChem Substance (SID):   85165213   2114   11448739
PubChem Compound (CID):   196
KEGG: Compound ID   C06104
CAS Registry IDs:   25666-61-9   22322-28-7   7486-38-6   3385-41-9   124-04-9   7486-39-7   23311-84-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 09582_FLUKA   ChEBI CHEBI:30832   ChemBank NCIOpen2_001222   HSDB 188   BioCyc ADIPATE   ChemIDplus 000124049   ChemSpider 13887813   EINECS 204-673-3   CCRIS 812   NMRShiftDB 10005723   EPA DSSTox 1605   LipidMAPS LMFA01170048   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.