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CHEBI:59963 - methylglyoxal-lysine dimer

ChEBI IDCHEBI:59963
ChEBI Namemethylglyoxal-lysine dimer
Stars
DefinitionAn imidazolium ion formed via cyclo-dimerisation of L-lysine and methylglyoxal.
Last Modified16 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H29N4O4
Net Charge+1
Average Mass341.432
Monoisotopic Mass341.21833
SMILESCc1cn(CCCC[C@H](N)C(=O)O)c[n+]1CCCC[C@H](N)C(=O)O
InChIInChI=1S/C16H28N4O4/c1-12-10-19(8-4-2-6-13(17)15(21)22)11-20(12)9-5-3-7-14(18)16(23)24/h10-11,13-14H,2-9,17-18H2,1H3,(H-,21,22,23,24)/p+1/t13-,14-/m0/s1
InChIKeyNVJLIMSDAPOFHF-KBPBESRZSA-O
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
methylglyoxal-lysine dimer (CHEBI:59963) has role epitope (CHEBI:53000)
methylglyoxal-lysine dimer (CHEBI:59963) is a L-lysine derivative (CHEBI:25095)
methylglyoxal-lysine dimer (CHEBI:59963) is a imidazolium ion (CHEBI:59964)
methylglyoxal-lysine dimer (CHEBI:59963) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Names 
1,3-bis[(5S)-5-amino-5-carboxypentyl]-4-methyl-1H-imidazol-3-ium
1,3-bis[(5S)-5-amino-5-carboxypentyl]-5-methyl-1H-imidazol-3-ium
Synonyms  Source
imidazolysineChEBI
MOLDChEBI
Citations