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:

D-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: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1

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

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

(2R)-2-aminopropanoic acid

PubChem Substance (SID):   85165044   213260   3433
PubChem Compound (CID):   71080
KEGG: Compound ID   C00133
CAS Registry IDs:   338-69-2
PDB Chemical Component   ALA   DAL
Miscellaneous Databases and IDs:   CHEBI 15570   EINECS 206-418-1   NSC 158286

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.