BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Nepsilon-Acetyl-L-lysine

Graphical representations:

Nepsilon-Acetyl-L-lysine image

Molecular Formula: C8 H16 N2 O3

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

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

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2S)-6-acetamido-2-aminohexanoic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-6-acetamido-2-amino-hexanoic acid

PubChem Substance (SID):   85165151   5689   8144021
PubChem Compound (CID):   92832
KEGG: Compound ID   C02727
CAS Registry IDs:   692-04-6
PDB Chemical Component   ALY
Miscellaneous Databases and IDs:   Sigma-Aldrich A4021_SIGMA   ChEBI CHEBI:17752   ChemIDplus 000692046   ChemSpider 83801   EINECS 211-725-9

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.