BMRB

Biological Magnetic Resonance Data Bank


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

L-Asparagine

Graphical representations:

L_asparagine

View large 3D structure

Molecular Formula: C4H8N2O3

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

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

PubChem Compound (CID): 6267
KEGG Compound ID: C00152
CAS Registry number: 32640-57-6 328-41-6 70-47-3 7006-34-0
ChEBI: 17196
NSC: 82391
EINECS: 200-735-9
PDB Compound ID: ASN ASN_LFOH ASN_LFZW

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)