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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde

ChEBI ID	CHEBI:75949

Definition	A 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].

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C8H9NO2

Net Charge

Average Mass

151.16260

Monoisotopic Mass

151.06333

InChI

InChI=1S/C8H9NO2/c1-6-7(4-10)2-9-3-8(6)5-11/h2-6,9H,1H3

InChIKey

GHUJOXJDUAROKJ-UHFFFAOYSA-N

SMILES

CC1C(C=O)=CNC=C1C=O

Roles Classification
Biological Role(s):	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	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	Sources
3,5-diformyl-4-methyl-1,4-dihydropyridine	ChEBI
4-methyl-1,4-dihydro-3,5-pyridinedicarbaldehyde	ChEBI
4-methyl-1,4-dihydro-3,5-pyridinedicarboxaldehyde	ChEBI
4-methyl-1,4-dihydropyridine-3,5-dicarboxaldehyde	ChEBI
MAA	ChEBI
malondialdehyde acetaldehyde	ChEBI
MDA-AA	ChEBI
MDHDC	ChEBI

Registry Number	Type	Source
1448209	Reaxys Registry Number	Reaxys

Citations

Last Modified

09 February 2018