5746-03-2
Product Name:
(2S, 1'R)/(2S, 1'S)-2-Amino-6-(1'-carboxy-ethylamino)-he
xanoic acid
Formula:
C9H18N2O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 218.25 g/mol |
|---|---|
| XLogP3 | -5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 218.12665706 g/mol |
| Monoisotopic Mass | 218.12665706 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 220 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N(6)-(1-carboxyethyl)-L-lysine is a L-lysine derivative formed during the reaction between methylglyoxal and protein. CEL is a homologue of N(epsilon)-(carboxymethyl)lysine (CML), an advanced glycation end-product that is formed on reaction of glyoxal or glycolaldehyde with protein and on oxidative cleavage of fructoselysine, the Amadori adduct formed on glycation of protein by glucose. It is a L-lysine derivative and a non-proteinogenic L-alpha-amino acid.