Biological Magnetic Resonance Data Bank

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


Graphical representations:

L-Leucine image

Molecular Formula: C6 H13 N O2

Natural Isotopic Abundance Mass: 131.1729200000

Mono-Isotopic Molecular Masses:

  • C12N14: 131.094628667
  • C13N14: 137.114757693
  • C12N15: 132.09166356
  • C13N15: 138.1117925867

InCHi String:

isomeric SMILES: CC(C)C[C@@H](C(=O)O)N

canonical SMILES: CC(C)CC(C(=O)O)N

(2S)-2-amino-4-methyl-pentanoic acid

PubChem Substance (SID):   85164890   148996   3423
PubChem Compound (CID):   6106
KEGG: Compound ID   C00123
CAS Registry IDs:   61-90-5   7005-03-0
PDB Chemical Component   LEU   LEU_LFOH   LEU_LFZW
Miscellaneous Databases and IDs:   CHEBI 15603   FEMA No. 3297   NSC 46709   EINECS 200-522-0

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.