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-Asparagine image

View large 3D structure

Molecular Formula: C4 H8 N2 O3

Natural Isotopic Abundance Mass: 132.1179200000

Mono-Isotopic Molecular Masses:

  • C12N14: 132.053492133
  • C13N14: 136.066911485
  • C12N15: 134.04756192
  • C13N15: 138.0609812711

InChI String: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1

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

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

(2S)-2-amino-3-carbamoyl-propanoic acid

IUPAC systematic
(2S)-2-amino-3-aminocarbonyl-propanoic acid

PubChem Substance (SID):   85164879   149195   3452
PubChem Compound (CID):   6267
KEGG: Compound ID   C00152
CAS Registry IDs:   32640-57-6   328-41-6   70-47-3   7006-34-0
PDB Chemical Component   ASN   ASN_LFOH   ASN_LFZW
Miscellaneous Databases and IDs:   CHEBI 17196   NSC 82391   EINECS 200-735-9

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,