MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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malonaldehyde

	Properties	Image
MNX_ID	MNXM1108374
reference	chebi:566274
formula	C₃H₄O₂
global charge	0
mol weight	72.063
InChIKey	WSMYVTOQOOLQHP-UHFFFAOYSA-N
InChI	InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
SMILES	O=CCC=O

MNX internals

InChI (mnx)	InChI=1/C3H4O2/c4-2-1-3-5/h2-3H,1H2
SMILES (mnx)	[CH2:1]([CH:2]=[O:4])[CH:3]=[O:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-2161562 reactomeM:R-ALL-2161562 CHEBI:566274 chebi:566274 WSMYVTOQOOLQHP-UHFFFAOYSA-N	malonaldehyde 1,3-Propanedial 1,3-Propanedialdehyde 1,3-Propanedione MDA MDD Malondialdehyde Malonic aldehyde Malonic dialdehyde Malonodialdehyde Malonyldialdehyde propanedial
kegg.compound:C19440 keggC:C19440 WSMYVTOQOOLQHP-UHFFFAOYSA-N	Malonaldehyde Malondialdehyde
sabiork.compound:21382 sabiorkM:21382 WSMYVTOQOOLQHP-UHFFFAOYSA-N	Malondialdehyde
hmdb:HMDB0006112 WSMYVTOQOOLQHP-UHFFFAOYSA-N	Malondialdehyde 1,3-Propanedial 1,3-Propanedialdehyde 1,3-Propanedione MDA MDD Malonaldehyde Malondialdehyde, sodium Malonic aldehyde Malonic dialdehyde Malonodialdehyde Malonylaldehyde Malonyldialdehyde Propanedial Sodium malondialdehyde malonaldehyde propanedial
envipath:...71c25d043cd9 envipathM:...71c25d043cd9 WSMYVTOQOOLQHP-UHFFFAOYSA-N	compound 0049037
SLM:000501406 slm:000501406	malonaldehyde
metacyc.compound:CPD-21542 metacycM:CPD-21542 WSMYVTOQOOLQHP-UHFFFAOYSA-N	malondialdehyde 1,3-propanedial malonaldehyde
hmdb:HMDB06112 chebi:43895 keggC:M_C19440	secondary/obsolete/fantasy identifier