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

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3-chlorocatechol

	Properties	Image
MNX_ID	MNXM2934
reference	chebi:27715
formula	C₆H₅ClO₂
global charge	0
mol weight	144.557
InChIKey	GQKDZDYQXPOXEM-UHFFFAOYSA-N
InChI	InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
SMILES	OC1=C(O)C(Cl)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
SMILES (mnx)	[CH:1]1=[CH:2][C:4]([Cl:7])=[C:6]([OH:9])[C:5]([OH:8])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27715 chebi:27715 GQKDZDYQXPOXEM-UHFFFAOYSA-N	3-chlorocatechol 3-Chlorocatechol 3-chlorobenzene-1,2-diol 3-chloropyrocatechol
envipath:...f06d0583fd09 envipathM:...f06d0583fd09 kegg.compound:C05618 keggC:C05618 vmhM:3clctcl vmhmetabolite:3clctcl GQKDZDYQXPOXEM-UHFFFAOYSA-N	3-Chlorocatechol
seed.compound:cpd03336 seedM:cpd03336 GQKDZDYQXPOXEM-UHFFFAOYSA-N	3-Chlorocatechol 3-chloro-1,2-benzenediol 3-chlorobenzene-1,2-diol 3-chlorocatechol
metacyc.compound:CPD-9151 metacycM:CPD-9151 GQKDZDYQXPOXEM-UHFFFAOYSA-N	3-chlorocatechol 3-chloro-1,2-benzenediol 3-chlorobenzene-1,2-diol
envipath:...24c5c21edccc envipathM:...24c5c21edccc GQKDZDYQXPOXEM-UHFFFAOYSA-N	compound 0000134
envipath:...f4d663c1e674 envipathM:...f4d663c1e674 GQKDZDYQXPOXEM-UHFFFAOYSA-N	compound 0038524
chebi:1474 chebi:19986 keggC:M_C05618 seedM:M_cpd03336 vmhM:M_3clctcl	secondary/obsolete/fantasy identifier