BMRB

Biological Magnetic Resonance Data Bank


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

DL-beta-leucine

DL-beta-leucine bmse000466 - Data

DL-beta-leucine synonyms

3-Amino-4-methylpentanoic acid; Pentanoic acid, 3-amino-4-methyl-; ()-3-Amino-4-methylvaleric acid; beta-Leucine; ()-3-Amino-4-methylpentanoic acid; DL-beta-Leucine

Wikipedia:

Graphical representations:

DL-beta-leucine

View large 3D structure

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/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1

PubChem Compound (CID): 193411
CAS Registry number: 5699-54-7
Sigma-Aldrich: 17988_FLUKA
ChemIDplus: 005699547
ChemSpider: 167837
ChemDB: 4718777

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, https://www.nature.com/articles/sdata201773)