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

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trichloroepoxyethane

	Properties	Image
MNX_ID	MNXM3722
reference	chebi:28888
formula	C₂HCl₃O
global charge	0
mol weight	147.388
InChIKey	CMMXCVYESRODNH-UHFFFAOYSA-N
InChI	InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1H
SMILES	ClC1OC1(Cl)Cl

MNX internals

InChI (mnx)	InChI=1/C2HCl3O/c3-1-2(4,5)6-1/h1H/t1?
SMILES (mnx)	[CH:1]1([Cl:3])[C:2]([Cl:4])([Cl:5])[O:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28888 chebi:28888 CMMXCVYESRODNH-UHFFFAOYSA-N	trichloroepoxyethane 1,1,2-trichloroepoxyethane 2,2,3-trichlorooxirane TCE epoxide Trichloroepoxyethane Trichloroethylene epoxide epoxy-1,1,2-trichloroethane trichloro-oxirane
hmdb:HMDB0062533 CMMXCVYESRODNH-UHFFFAOYSA-N	TCE epoxide 1,1,2-Trichloroepoxyethane 2,2,3-trichlorooxirane Epoxy-1,1,2-trichloroethane Trichloro-oxirane Trichloroepoxyethane Trichloroethylene epoxide Trichloroethylene oxide tce epoxide
seed.compound:cpd08026 seedM:cpd08026 kegg.compound:C11148 keggC:C11148 CMMXCVYESRODNH-UHFFFAOYSA-N	TCE epoxide Trichloroepoxyethane Trichloroethylene epoxide
envipath:...c6587c1757df envipathM:...c6587c1757df CMMXCVYESRODNH-UHFFFAOYSA-N	Trichloroethylene epoxide
vmhM:M02954 vmhmetabolite:M02954 CMMXCVYESRODNH-UHFFFAOYSA-N	Trichloroethylene epoxide 2,2,3-trichlorooxirane
metacyc.compound:CPD-22742 metacycM:CPD-22742 CMMXCVYESRODNH-UHFFFAOYSA-N	trichloroepoxyethane trichloroethylene epoxide trichlorooxirane
hmdb:HMDB62533 chebi:27100 chebi:9382 keggC:M_C11148 seedM:M_cpd08026 vmhM:M_M02954	secondary/obsolete/fantasy identifier