Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C6H13NO2

Natural Isotopic Abundance Mass: 131.1729200000

Mono-Isotopic Molecular Masses:

  • C12N14: 131.094628667
  • C13N14: 137.114757693
  • C12N15: 132.09166356
  • C13N15: 137.114757693

InChI string: InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H

IUPAC: (2S,3S)-2-amino-3-methyl-pentanoic acid

PubChem Compound (CID): 6306
KEGG Compound ID: C00407
CAS Registry number: 7004-09-3 73-32-5
ChEBI: 17191
NSC: 46708
CCRIS: 5229
EINECS: 200-798-2

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,