Biological Magnetic Resonance Data Bank

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

Graphical representations:


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Molecular Formula: C6H13NO2

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)

PubChem Compound (CID): 564
CAS Registry number: 1319-82-0 93208-38-9 87867-96-7 60-32-2
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
KEGG Compound ID: D00160
Beilstein Handbook Reference: 4-04-00-02695
NIST Chemistry WebBook: 954826851
PDB Compound ID: ACA AHA

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,