Molecule ID: 23400779

IUPAC Name: (2S)-2-amino-6-(1-carboxyethylamino)hexanoic acid

Description: The molecule 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.

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

SELFIES: [C][C][Branch1][#C][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6?,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -5.0