BMRB

Biological Magnetic Resonance Data Bank


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

N-alpha-Acetyl-L-lysine

Graphical representations:

N-alpha-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)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

canonical SMILES: CC(=O)NC(CCCCN)C(=O)O

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

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

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

PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-acetamido-6-azanyl-hexanoic acid

PubChem Substance (SID):   126596870   24890614   669837
PubChem Compound (CID):   92907
KEGG: Compound ID   n/a
CAS Registry IDs:   1946-82-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 1946-82-3   MDL number MFCD00008233   MMCD cq_09310   EC Number 217-747-5   Sigma-Aldrich A2010_SIGMA   ChEBI CHEBI:35704   EINECS 217-747-5   ChemIDplus 001946823   TCI (Tokyo Chemical Industry) A2171

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.