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

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2,2-Dichloroacetaldehyde

	Properties	Image
MNX_ID	MNXM5432
reference	chebi:34214
formula	C₂H₂Cl₂O
global charge	0
mol weight	112.943
InChIKey	NWQWQKUXRJYXFH-UHFFFAOYSA-N
InChI	InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H
SMILES	O=CC(Cl)Cl

MNX internals

InChI (mnx)	InChI=1/C2H2Cl2O/c3-2(4)1-5/h1-2H
SMILES (mnx)	[CH:1]([CH:2]([Cl:3])[Cl:4])=[O:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd10555 seedM:cpd10555 CHEBI:34214 chebi:34214 kegg.compound:C14858 keggC:C14858 NWQWQKUXRJYXFH-UHFFFAOYSA-N	2,2-Dichloroacetaldehyde
vmhM:M00568 vmhmetabolite:M00568 NWQWQKUXRJYXFH-UHFFFAOYSA-N	2,2-Dichloroacetaldehyde 2,2-dichloroacetaldehyde
hmdb:HMDB0060357 NWQWQKUXRJYXFH-UHFFFAOYSA-N	2,2-Dichloroacetaldehyde 2,2-dichloroacetaldehyde alpha,alpha-dichloroacetaldehyde
envipath:...bd9e2ccb8282 envipathM:...bd9e2ccb8282 NWQWQKUXRJYXFH-UHFFFAOYSA-N	Dichloroacetaldehyd
envipath:...d7023b5568f1 envipathM:...d7023b5568f1 NWQWQKUXRJYXFH-UHFFFAOYSA-N	Dichloroacetaldehyd Dichloroacetaldehyde
envipath:...5a43e55e6ec0 envipathM:...5a43e55e6ec0 NWQWQKUXRJYXFH-UHFFFAOYSA-N	compound 0046240
hmdb:HMDB60357 keggC:M_C14858 seedM:M_cpd10555 vmhM:M_M00568	secondary/obsolete/fantasy identifier