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

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chlorobenzene

	Properties	Image
MNX_ID	MNXM4523
reference	chebi:28097
formula	C₆H₅Cl
global charge	0
mol weight	112.559
InChIKey	MVPPADPHJFYWMZ-UHFFFAOYSA-N
InChI	InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
SMILES	ClC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([Cl:7])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28097 chebi:28097 MVPPADPHJFYWMZ-UHFFFAOYSA-N	chlorobenzene Benzene chloride Chlorobenzene Monochlorbenzol Monochlorobenzene PhCl Phenyl chloride
envipath:...62243bd2ee83 envipathM:...62243bd2ee83 MVPPADPHJFYWMZ-UHFFFAOYSA-N	Chlorobenzene
hmdb:HMDB0041855 MVPPADPHJFYWMZ-UHFFFAOYSA-N	Chlorobenzene 6-Chlorobenzene-1,2,4-triol 6-Chlorohydroxyquinol Abluton T30 Benzene chloride Chloorbenzeen Chlorbenzene Chlorbenzol Chloro-benzene Chlorobenzen Chlorobenzene (acd/name 4.0) Chlorobenzenu Chlorobenzol Chlorobenzol(dot) Clorobenzene IP carrier T 40 MCB Monochloorbenzeen Monochlorbenzene Monochlorbenzol Monochlorobenzene Monoclorobenzene PHCL Phenyl chloride Tetrosin SP chlorobenzene mono-Chlorobenzene
kegg.compound:C06990 keggC:C06990 MVPPADPHJFYWMZ-UHFFFAOYSA-N	Chlorobenzene Benzene chloride Monochlorobenzene Phenyl chloride
seed.compound:cpd04309 seedM:cpd04309 MVPPADPHJFYWMZ-UHFFFAOYSA-N	Chlorobenzene Benzene chloride Monochlorobenzene Phenyl chloride chlorobenzene monochlorobenzene
vmhM:mclbnzn vmhmetabolite:mclbnzn MVPPADPHJFYWMZ-UHFFFAOYSA-N	Monochlorobenzene chlorobenzene
metacyc.compound:CHLOROBENZENE metacycM:CHLOROBENZENE MVPPADPHJFYWMZ-UHFFFAOYSA-N	chlorobenzene monochlorobenzene
envipath:...a13ac1a6b99a envipathM:...a13ac1a6b99a MVPPADPHJFYWMZ-UHFFFAOYSA-N	compound 0000129
envipath:...b16a01977cd8 envipathM:...b16a01977cd8 MVPPADPHJFYWMZ-UHFFFAOYSA-N	compound 0040757
hmdb:HMDB41855 chebi:23131 chebi:3623 keggC:M_C06990 seedM:M_cpd04309 vmhM:M_mclbnzn	secondary/obsolete/fantasy identifier