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CHEBI:44485 - N-ethylmaleimide

Default Structure
ChEBI IDCHEBI:44485
ChEBI NameN-ethylmaleimide
Stars
ASCII NameN-ethylmaleimide
DefinitionA member of the class of maleimides that is the N-ethyl derivative of maleimide.
Secondary ChEBI IDsCHEBI:7269, CHEBI:44483
Last Modified23 April 2020
DownloadsMolfile
FormulaC6H7NO2
Net Charge0
Average Mass125.127
Monoisotopic Mass125.04768
SMILESCCN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
InChIKeyHDFGOPSGAURCEO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor  An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of acyl-CoA dehydrogenase (NADP+), EC 1.3.1.8.
EC 2.7.1.1 (hexokinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of hexokinase, EC 2.7.1.1, an enzyme that phosphorylates hexoses forming hexose phosphate.
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor  An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of (S)-tetrahydroprotoberberine N-methyltransferase (EC 2.1.1.122).
ChEBI Ontology
Outgoing Relation(s)
N-ethylmaleimide (CHEBI:44485) has functional parent maleimide (CHEBI:16072)
N-ethylmaleimide (CHEBI:44485) has role anticoronaviral agent (CHEBI:149553)
N-ethylmaleimide (CHEBI:44485) has role EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP+)] inhibitor (CHEBI:78377)
N-ethylmaleimide (CHEBI:44485) has role EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor (CHEBI:77115)
N-ethylmaleimide (CHEBI:44485) has role EC 2.7.1.1 (hexokinase) inhibitor (CHEBI:78366)
N-ethylmaleimide (CHEBI:44485) is a maleimides (CHEBI:55417)
IUPAC Name 
1-ethyl-1H-pyrrole-2,5-dione
Synonyms  Source
EthylmaleimideChemIDplus
NEMNIST Chemistry WebBook
N-EthylmaleimideKEGG COMPOUND
N-ETHYLMALEIMIDEPDBeChem
UniProt Name  Source
N-ethylmaleimideUniProt
Manual XrefsDatabases
C02441KEGG COMPOUND
DB02967DrugBank
LSM-4219LINCS
NEQPDBeChem
N-EthylmaleimideWikipedia
N-ETHYLMALEIMIDEMetaCyc
Registry NumbersSources
Beilstein:112448Beilstein
Reaxys:112448Reaxys
Gmelin:405614Gmelin
CAS:128-53-0KEGG COMPOUND
CAS:128-53-0ChemIDplus
CAS:128-53-0NIST Chemistry WebBook
Citations