BMRB

Biological Magnetic Resonance Data Bank


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

Alanine

Graphical representations:

DL_Alanine

View large 3D structure

Molecular Formula: C3H7NO2

Natural Isotopic Abundance Mass: 89.0931800000

Mono-Isotopic Molecular Masses:

  • C12N14: 89.0476784741
  • C13N14: 92.0577429875
  • C12N15: 90.0447133673
  • C13N15: 93.0547778807

InChI string: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)

IUPAC: 2-aminopropanoic acid

PubChem Compound (CID): 602
KEGG Compound ID: C01401
ChemIDplus: 000302727
CAS Registry number: 302-72-7
EINECS: 206-126-4
PDB Compound ID: ALA ALA_LFOH ALA_LFZW DAL

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)