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

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1,2,3-trichlorobenzene

	Properties	Image
MNX_ID	MNXM13819
reference	chebi:35289
formula	C₆H₃Cl₃
global charge	0
mol weight	181.449
InChIKey	RELMFMZEBKVZJC-UHFFFAOYSA-N
InChI	InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
SMILES	ClC1=CC=CC(Cl)=C1Cl

MNX internals

InChI (mnx)	InChI=1/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
SMILES (mnx)	[CH:1]1=[CH:2][C:4]([Cl:7])=[C:6]([Cl:9])[C:5]([Cl:8])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35289 chebi:35289 RELMFMZEBKVZJC-UHFFFAOYSA-N	1,2,3-trichlorobenzene 1,2,3-Trichlorbenzol 1,2,3-Trichlorobenzene 1,2,6-trichlorobenzene vic-trichlorobenzene
envipath:...fdba40a98028 envipathM:...fdba40a98028 kegg.compound:C14408 keggC:C14408 RELMFMZEBKVZJC-UHFFFAOYSA-N	1,2,3-Trichlorobenzene
seed.compound:cpd10107 seedM:cpd10107 RELMFMZEBKVZJC-UHFFFAOYSA-N	1,2,3-Trichlorobenzene 1,2,3-TCB 1,2,3-trichlorobenzene
hmdb:HMDB0244108 RELMFMZEBKVZJC-UHFFFAOYSA-N	1,2,3-Trichlorobenzene 1,2,3-Trichlorbenzol 1,2,3-trichlorobenzene 1,2,6-Trichlorobenzene Trichlorobenzene Vic-trichlorobenzene
metacyc.compound:CPD-10627 metacycM:CPD-10627 RELMFMZEBKVZJC-UHFFFAOYSA-N	1,2,3-trichlorobenzene 1,2,3-TCB
envipath:...b3d2f384749b envipathM:...b3d2f384749b RELMFMZEBKVZJC-UHFFFAOYSA-N	compound 0053463
chebi:18860 chebi:34035 keggC:M_C14408 seedM:M_cpd10107	secondary/obsolete/fantasy identifier