Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:54:08 UTC
Update Date2022-08-31 06:11:54 UTC
Metabolite IDMMDBc0000749
Metabolite Identification
Common NameN6-Carboxyethyllysine
Description6-N-carboxyethyllysine belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. 6-N-carboxyethyllysine is a very strong basic compound (based on its pKa). N(6)-(2-Carboxyethyl)lysine with L configuration at the alpha carbon.
Structure
Synonyms
ValueSource
N(epsilon)-(2-Carboxyethyl)-L-lysineChEBI
N(epsilon)-(Carboxyethyl)-L-lysineChEBI
N(epsilon)-Carboxyethyl-L-lysineChEBI
N(epsilon)-CarboxyethyllysineChEBI
Molecular FormulaC9H18N2O4
Average Mass218.253
Monoisotopic Mass218.126657068
IUPAC Name(2S)-2-amino-6-[(2-carboxyethyl)amino]hexanoic acid
Traditional NameN(6)-(2-carboxyethyl)lysine
CAS Registry NumberNot Available
SMILES
N[C@@H](CCCCNCCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C9H18N2O4/c10-7(9(14)15)3-1-2-5-11-6-4-8(12)13/h7,11H,1-6,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChI KeySPBWCBIQZFYDOE-ZETCQYMHSA-N