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CHEBI:59962 - argpyrimidine

ChEBI IDCHEBI:59962
ChEBI Nameargpyrimidine
Stars
DefinitionA member of the class of hydroxypyrimidines obtained by cyclocondensation of L-arginine and methylglyoxal; a methyl glyoxal-derived advanced glycation end-product (AGE) in familial amyloidotic polyneuropathy and human cancers.
Last Modified22 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC11H18N4O3
Net Charge0
Average Mass254.290
Monoisotopic Mass254.13789
SMILESCc1nc(NCCC[C@H](N)C(=O)O)nc(C)c1O
InChIInChI=1S/C11H18N4O3/c1-6-9(16)7(2)15-11(14-6)13-5-3-4-8(12)10(17)18/h8,16H,3-5,12H2,1-2H3,(H,17,18)(H,13,14,15)/t8-/m0/s1
InChIKeyDCPBQSFZQHFSMR-QMMMGPOBSA-N
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)
argpyrimidine (CHEBI:59962) has role epitope (CHEBI:53000)
argpyrimidine (CHEBI:59962) is a L-arginine derivative (CHEBI:83965)
argpyrimidine (CHEBI:59962) is a hydroxypyrimidine (CHEBI:38340)
argpyrimidine (CHEBI:59962) is a non-proteinogenic α-amino acid (CHEBI:83925)
IUPAC Name 
N5-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-L-ornithine
Synonyms  Source
(S)-2-amino-5-(5-hydroxy-4,6-dimethyl-pyrimidin-2-ylamino)-pentanoic acidChEBI
N5-(5-hydroxy-4,6-dimethyl-2-pyrimidinyl)-ornithineChEBI
N5-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-L-ornithineChEBI
Manual XrefsDatabases
JP11246599Patent
EP1867659Patent
Registry NumbersSources
Reaxys:8853749Reaxys
Citations