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:

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:

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

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas: IUPAC systematic
2-aminopropanoic acid

PubChem Substance (SID):   85165086   197348   4590
PubChem Compound (CID):   602
KEGG: Compound ID   C01401
CAS Registry IDs:   302-72-7
PDB Chemical Component   ALA   ALA_LFOH   ALA_LFZW   DAL
Miscellaneous Databases and IDs:   ChemIDplus 000302727   EINECS 206-126-4

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.