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

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4-chlorophenol

	Properties	Image
MNX_ID	MNXM4999
reference	chebi:28078
formula	C₆H₅ClO
global charge	0
mol weight	128.558
InChIKey	WXNZTHHGJRFXKQ-UHFFFAOYSA-N
InChI	InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
SMILES	OC1=CC=C(Cl)C=C1

MNX internals

InChI (mnx)	InChI=1/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
SMILES (mnx)	[CH:1]1=[CH:3][C:6]([OH:8])=[CH:4][CH:2]=[C:5]1[Cl:7]

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:28078 chebi:28078 WXNZTHHGJRFXKQ-UHFFFAOYSA-N	4-chlorophenol 4-Chlorophenol Parachlorophenol p-Chlorophenol p-chlorophenol
envipath:...6435cce93e9e envipathM:...6435cce93e9e WXNZTHHGJRFXKQ-UHFFFAOYSA-N	4-Chlorophenol
hmdb:HMDB0246398 WXNZTHHGJRFXKQ-UHFFFAOYSA-N	4-Chlorophenol 4-Chlorophenol ion (1+) 4-Chlorophenol, copper (+1) salt 4-Chlorophenol, nickel (+2) salt 4-Chlorophenol, potassium salt 4-Chlorophenol, sodium salt 4-Chlorophenol, titanium (+4) salt 4-Chlorophenoxide 4-Monochlorophenol 4-chlorophenol Para-monochlorophenol Parachlorophenol chlorophenol p-Chlorophenol
sabiork.compound:6015 sabiorkM:6015 kegg.compound:C02124 keggC:C02124 WXNZTHHGJRFXKQ-UHFFFAOYSA-N	4-Chlorophenol Parachlorophenol p-Chlorophenol
metacyc.compound:CPD-10870 metacycM:CPD-10870 WXNZTHHGJRFXKQ-UHFFFAOYSA-N	4-chlorophenol
envipath:...1030a570d8f0 envipathM:...1030a570d8f0 envipath:...6568752aeb97 envipathM:...6568752aeb97 WXNZTHHGJRFXKQ-UHFFFAOYSA-N	P-chloro-phenol
vmhM:pclphe vmhmetabolite:pclphe WXNZTHHGJRFXKQ-UHFFFAOYSA-N	Parachlorophenol
kegg.drug:D00149 keggD:D00149 WXNZTHHGJRFXKQ-UHFFFAOYSA-N	Parachlorophenol (JAN/USP) p-Chlorophenol
envipath:...00738c79d35f envipathM:...00738c79d35f WXNZTHHGJRFXKQ-UHFFFAOYSA-N	compound 0039344
seed.compound:cpd01437 seedM:cpd01437 WXNZTHHGJRFXKQ-UHFFFAOYSA-N	p-Chlorophenol 4-Chlorophenol 4-chlorophenol Parachlorophenol
chebi:1807 chebi:20340 keggC:M_C02124 keggD:M_D00149 seedM:M_cpd01437 vmhM:M_pclphe	secondary/obsolete/fantasy identifier