malonaldehyde (CHEBI:566274)

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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

Download	Molfile XML SDF

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Formula

C3H4O2

Net Charge

Average Mass

72.06270

Monoisotopic Mass

72.02113

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.

ChEBI Ontology
Outgoing	malonaldehyde (CHEBI:566274) has role biomarker (CHEBI:59163) malonaldehyde (CHEBI:566274) is a dialdehyde (CHEBI:38124)

IUPAC Name

propanedial

Last Modified

09 February 2018