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Nepsilon-Acetyl-L-lysine
SpectraBase Compound ID rUJ8GRZQrJ
InChI 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
InChIKey DTERQYGMUDWYAZ-ZETCQYMHSA-N
Mol Weight 188.23 g/mol
Molecular Formula C8H16N2O3
Exact Mass 188.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HzEwh3Y8HPJ
Name Nepsilon-Acetyl-L-lysine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 692-04-6
ChEBI ID 17752
Comments 100 mM Nepsilon-Acetyl-L-lysine - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C8 H16 N2 O3
IUPAC Name (2S)-6-acetamido-2-aminohexanoic acid; (2S)-6-acetamido-2-amino-hexanoic acid
InChI 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
InChIKey DTERQYGMUDWYAZ-ZETCQYMHSA-N
KEGG Compound ID C02727
KEGG Pathways PATH: ko00310 Lysine degradation
PubChem Compound ID 92832
SMILES CC(=O)NCCCCC(C(=O)O)N
Source File Reference bmse000353