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

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2,4,6-trichlorophenol

	Properties	Image
MNX_ID	MNXM4958
reference	chebi:140426
formula	C₆H₂Cl₃O
global charge	-1
mol weight	196.44
InChIKey	LINPIYWFGCPVIE-UHFFFAOYSA-M
InChI	InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/p-1
SMILES	[O-]C1=C(Cl)C=C(Cl)C=C1Cl

MNX internals

InChI (mnx)	InChI=1/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
SMILES (mnx)	[CH:1]1=[C:3]([Cl:7])[CH:2]=[C:5]([Cl:9])[C:6]([OH:10])=[C:4]1[Cl:8]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140426 chebi:140426 LINPIYWFGCPVIE-UHFFFAOYSA-M	2,4,6-trichlorophenol 2,4,6-trichlorophenolate
sabiork.compound:9215 sabiorkM:9215 kegg.compound:C07098 keggC:C07098 LINPIYWFGCPVIE-UHFFFAOYSA-N	2,4,6-Trichlorophenol
envipath:...9e4070d4ccef envipathM:...9e4070d4ccef LINPIYWFGCPVIE-UHFFFAOYSA-N	2,4,6-Trichlorophenol (2,4,6-TCP)
seed.compound:cpd04373 seedM:cpd04373 LINPIYWFGCPVIE-UHFFFAOYSA-M	2,4,6-Trichlorophenol 2,4,6-trichlorophenol
metacyc.compound:TRICHLOROPHENOL metacycM:TRICHLOROPHENOL LINPIYWFGCPVIE-UHFFFAOYSA-M	2,4,6-trichlorophenol
CHEBI:28755 chebi:28755 LINPIYWFGCPVIE-UHFFFAOYSA-N	2,4,6-trichlorophenol 1,3,5-Trichloro-2-hydroxybenzene 2,4,6-TCP 2,4,6-Trichlorophenol
envipath:...fc79bfa9a485 envipathM:...fc79bfa9a485 envipath:...533f10cc135a envipathM:...533f10cc135a LINPIYWFGCPVIE-UHFFFAOYSA-N	BTS 45 186 (2,4,6-trichlorophenol)
envipath:...dfe57384c184 envipathM:...dfe57384c184 LINPIYWFGCPVIE-UHFFFAOYSA-N	compound 0059854
chebi:19334 chebi:898 keggC:M_C07098 seedM:M_cpd04373	secondary/obsolete/fantasy identifier