BMRB

Biological Magnetic Resonance Data Bank


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

6-Aminohexanoic Acid

Graphical representations:

6-Aminohexanoic acid image

Molecular Formula: C6 H13 N O2

Natural Isotopic Abundance Mass: 131.17292

Mono-Isotopic Molecular Masses:

  • C12N14: 131.0946286667
  • C13N14: 137.1147576935
  • C12N15: 132.0916635599
  • C13N15: 138.1117925867

InCHi String: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
6-aminohexanoic acid

PubChem Substance (SID):   85165186   7847228   148943
PubChem Compound (CID):   564
KEGG: Compound ID   D00160
CAS Registry IDs:   1319-82-0   93208-38-9   87867-96-7   60-32-2
PDB Chemical Component   ACA   AHA
Miscellaneous Databases and IDs:   Sigma-Aldrich A7824_SIGMA   ChEBI CHEBI:16586   ChemBank Spectrum_000038   HSDB 3005   BioCyc CPD-884   ChemIDplus 001319820   ChemSpider 13883539   EINECS 200-469-3   CCRIS 7706   DiscoveryGate 564   NMRShiftDB 10008873   DTP/NCI 212532   EPA DSSTox 70   LipidMAPS LMFA01100035   DrugBank DB04134   Beilstein Handbook Reference 4-04-00-02695   NIST Chemistry WebBook 954826851

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.