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CHEBI:75949 - 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde

ChEBI IDCHEBI:75949
ChEBI Name4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
Stars
DefinitionA dialdehyde in which the two carbaldehyde functions are at positions 3 and 5 of 4-methyl-1,4-dihydropyridine. Although the compound is an entity in its own right, the nitrogen of the dihydropyridine ring may also arise from the ε-amino group of a lysine residue within a protein [MDHDC-protein adduct; malonaldedehyde (synonym malondialdehyde) acetaldehyde (MAA)-protein adduct].
Last Modified9 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H9NO2
Net Charge0
Average Mass151.165
Monoisotopic Mass151.06333
SMILESCC1C(C=O)=CNC=C1C=O
InChIInChI=1S/C8H9NO2/c1-6-7(4-10)2-9-3-8(6)5-11/h2-6,9H,1H3
InChIKeyGHUJOXJDUAROKJ-UHFFFAOYSA-N
Roles Classification
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)
4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde (CHEBI:75949) has role epitope (CHEBI:53000)
4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde (CHEBI:75949) is a dialdehyde (CHEBI:38124)
4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde (CHEBI:75949) is a dihydropyridine (CHEBI:50075)
IUPAC Name 
4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
Synonyms  Source
MDHDCChEBI
4-methyl-1,4-dihydropyridine-3,5-dicarboxaldehydeChEBI
4-methyl-1,4-dihydro-3,5-pyridinedicarboxaldehydeChEBI
4-methyl-1,4-dihydro-3,5-pyridinedicarbaldehydeChEBI
3,5-diformyl-4-methyl-1,4-dihydropyridineChEBI
MAAChEBI
Registry NumbersSources
Reaxys:1448209Reaxys
Citations