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-Alanine image

Molecular Formula: C3 H7 N O2

Natural Isotopic Abundance Mass: 89.0931800000

Mono-Isotopic Molecular Masses:

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

InCHi String:

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

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

(2S)-2-aminopropanoic acid

PubChem Substance (SID):   85164877   148776   3343
PubChem Compound (CID):   5950
KEGG: Compound ID   C00041
CAS Registry IDs:   115967-49-2   170805-71-7   56-41-7   6898-94-8
PDB Chemical Component   ALA   ALA_LFOH   ALA_LFZW
Miscellaneous Databases and IDs:   CHEBI 16977   NSC 206315   EINECS 200-273-8   HSDB 1801

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.