BMRB

Biological Magnetic Resonance Data Bank


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

Nepsilon-Acetyl-L-lysine

Graphical representations:

Nepsilon-Acetyl-L-lysine

View large 3D structure

Molecular Formula: C8H16N2O3

Natural Isotopic Abundance Mass: 188.22424

Mono-Isotopic Molecular Masses:

  • C12N14: 188.1160923903
  • C13N14: 196.1429310927
  • C12N15: 190.1101621767
  • C13N15: 198.1370008791

InChI string: InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

PubChem Compound (CID): 92832
CAS Registry number: 692-04-6
Sigma-Aldrich: A4021_SIGMA
ChEBI: CHEBI:17752
ChemIDplus: 000692046
ChemSpider: 83801
EINECS: 211-725-9
KEGG Compound ID: C02727
PDB Compound ID: ALY

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)