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

Feedback

2,3,7,8-tetrachlorodibenzodioxine

	Properties	Image
MNX_ID	MNXM34397
reference	chebi:28119
formula	C₁₂H₄Cl₄O₂
global charge	0
mol weight	321.974
InChIKey	HGUFODBRKLSHSI-UHFFFAOYSA-N
InChI	InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
SMILES	ClC1=CC2=C(C=C1Cl)OC1=CC(Cl)=C(Cl)C=C1O2

MNX internals

InChI (mnx)	InChI=1/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
SMILES (mnx)	[CH:1]1=[C:5]([Cl:13])[C:6]([Cl:14])=[CH:2][C:10]2=[C:9]1[O:17][C:11]1=[CH:3][C:7]([Cl:15])=[C:8]([Cl:16])[CH:4]=[C:12]1[O:18]2

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-8936852 reactomeM:R-ALL-8936852 reactome:R-ALL-8937170 reactomeM:R-ALL-8937170 CHEBI:28119 chebi:28119 HGUFODBRKLSHSI-UHFFFAOYSA-N	2,3,7,8-tetrachlorodibenzodioxine 2,3,7,8-Tetrachlorodibenzo-p-dioxin 2,3,7,8-Tetrachlorodibenzodioxin 2,3,7,8-tetrachlorooxanthrene Dioxin PCDD 48 TCDD Tetrachlorodibenzodioxin dioxine tetradioxin
hmdb:HMDB0258755 HGUFODBRKLSHSI-UHFFFAOYSA-N	2,3,7,8-Tetrachlorodibenzo-p-dioxin 2,3,7,8-Tetrachlorodibenzodioxin 2,3,7,8-tetrachlorooxanthrene Chlorinated dibenzo p dioxins Chlorinated dibenzo-p-dioxins Dibenzo-p-dioxins, chlorinated Dibenzo-p-dioxins, polychlorinated Dibenzodioxin, polychlorinated Dibenzodioxins, polychlorinated Dioxin Dioxine PCDD PCDD 48 Polychlorinated dibenzo p dioxins Polychlorinated dibenzo-p-dioxins Polychlorinated dibenzodioxin Polychlorinated dibenzodioxins Polychlorodibenzo 4 dioxin Polychlorodibenzo p dioxin Polychlorodibenzo-4-dioxin Polychlorodibenzo-p-dioxin TCDD Tetrachlorodibenzo p dioxin Tetrachlorodibenzo-p-dioxin Tetrachlorodibenzodioxin Tetradioxin dioxin
kegg.compound:C07557 keggC:C07557 HGUFODBRKLSHSI-UHFFFAOYSA-N	2,3,7,8-Tetrachlorodibenzodioxin 2,3,7,8-Tetrachlorodibenzo-p-dioxin PCDD 48 TCDD Tetrachlorodibenzodioxin
seed.compound:cpd04727 seedM:cpd04727 HGUFODBRKLSHSI-UHFFFAOYSA-N	TCDD 2,3,7,8-Tetrachlorodibenzo-p-dioxin 2,3,7,8-Tetrachlorodibenzodioxin PCDD 48 Tetrachlorodibenzodioxin
envipath:...ad6b6ca4a6a7 envipathM:...ad6b6ca4a6a7 HGUFODBRKLSHSI-UHFFFAOYSA-N	compound 0069207
chebi:19302 chebi:869 keggC:M_C07557 seedM:M_cpd04727	secondary/obsolete/fantasy identifier