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

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pentachlorophenol

	Properties	Image
MNX_ID	MNXM2853
reference	chebi:58217
formula	C₆Cl₅O
global charge	-1
mol weight	265.33
InChIKey	IZUPBVBPLAPZRR-UHFFFAOYSA-M
InChI	InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1
SMILES	[O-]C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl

MNX internals

InChI (mnx)	InChI=1/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
SMILES (mnx)	[C:1]1([Cl:7])=[C:2]([Cl:8])[C:4]([Cl:10])=[C:6]([OH:12])[C:5]([Cl:11])=[C:3]1[Cl:9]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58217 chebi:58217 IZUPBVBPLAPZRR-UHFFFAOYSA-M	pentachlorophenol 2,3,4,5,6-pentachlorobenzen-1-olate pentachlorophenolate pentachlorophenolate anion pentachlorophenolate(1-) pentachlorophenoxide
seed.compound:cpd01685 seedM:cpd01685 IZUPBVBPLAPZRR-UHFFFAOYSA-M	PCP Pentachlorophenol pentachlorophenol
envipath:...f3ec8f6cc859 envipathM:...f3ec8f6cc859 IZUPBVBPLAPZRR-UHFFFAOYSA-N	Pentachlorophenol
hmdb:HMDB0041974 IZUPBVBPLAPZRR-UHFFFAOYSA-N	Pentachlorophenol 1-Hydroxy-2,3,4,5,6-pentachlorobenzene 2, 3,4,5,6-Pentachlorophenol 2,3,4,5,6-Pentachlorophenol 2,3,4,5,6-Pentachlorophenol (acd/name 4.0) Chem-tol Chlorophen Dowicide 7 Dowicide g Durotox Fungifen Glazd penta Grundier arbezol Lauxtol Lauxtol a Liroprem PCP PCP (Pesticide) Penchlorol Penta Penta-kil Pentachloro-phenol Pentachlorophenate Pentachlorophenate, sodium Pentachlorophenol pure Pentacon Pentasol Penwar Peratox Permacide Permagard Permasan Permatox Permite Phenol, pentachloro-, pure Preventol p Santobrite Santophen Santophen 20 Sinituho Sodium pentachlorophenate Term-i-trol Thompson'S wood fix Weedone pentachlorophenol permite
sabiork.compound:6269 sabiorkM:6269 kegg.compound:C02575 keggC:C02575 IZUPBVBPLAPZRR-UHFFFAOYSA-N	Pentachlorophenol PCP
envipath:...21bb4ee60a67 envipathM:...21bb4ee60a67 IZUPBVBPLAPZRR-UHFFFAOYSA-N	compound 0061157
CHEBI:17642 chebi:17642 IZUPBVBPLAPZRR-UHFFFAOYSA-N	pentachlorophenol 2,3,4,5,6-pentachlorophenol PCP PENTACHLOROPHENOL Pentachlorophenol
metacyc.compound:PENTACHLOROPHENOL metacycM:PENTACHLOROPHENOL IZUPBVBPLAPZRR-UHFFFAOYSA-M	pentachlorophenol PCP
hmdb:HMDB41974 chebi:14745 chebi:25871 chebi:49821 chebi:7971 keggC:M_C02575 seedM:M_cpd01685	secondary/obsolete/fantasy identifier