CHEBI:566274 - malonaldehyde

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ChEBI Name malonaldehyde
ChEBI ID CHEBI:566274
Definition A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43895
Supplier Information
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Formula C3H4O2
Net Charge 0
Average Mass 72.06270
Monoisotopic Mass 72.021
InChI InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKey WSMYVTOQOOLQHP-UHFFFAOYSA-N
SMILES O=CCC=O
Roles Classification
Application(s): biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing malonaldehyde (CHEBI:566274) has role biomarker (CHEBI:59163)
malonaldehyde (CHEBI:566274) is a dialdehyde (CHEBI:38124)
IUPAC Name
propanedial
Synonyms Sources
1,3-Propanedial ChemIDplus
1,3-Propanedialdehyde ChemIDplus
1,3-Propanedione ChemIDplus
malonaldehyde UniProt
Malondialdehyde KEGG COMPOUND
Malondialdehyde ChemIDplus
Malonic aldehyde ChemIDplus
Malonic dialdehyde ChemIDplus
Malonodialdehyde ChemIDplus
Malonyldialdehyde ChemIDplus
MDA ChEBI
MDD ChEBI
Manual Xrefs Databases
C19440 KEGG COMPOUND
DB03057 DrugBank
MDD PDBeChem
View more database links
Registry Numbers Types Sources
1209262 Reaxys Registry Number Reaxys
1209262 Beilstein Registry Number Beilstein
362229 Gmelin Registry Number Gmelin
542-78-9 CAS Registry Number ChemIDplus
542-78-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
12101069 PubMed citation Europe PMC
15583011 PubMed citation Europe PMC
17145675 PubMed citation Europe PMC
17336279 PubMed citation Europe PMC
17548130 PubMed citation ChEMBL
23900424 PubMed citation Europe PMC
24168430 PubMed citation Europe PMC
28600633 PubMed citation Europe PMC
28600933 PubMed citation Europe PMC
28783520 PubMed citation Europe PMC
29348025 PubMed citation Europe PMC
Last Modified
09 February 2018