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

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3,4-dichloroaniline

	Properties	Image
MNX_ID	MNXM4317
reference	chebi:16767
formula	C₆H₅Cl₂N
global charge	0
mol weight	162.019
InChIKey	SDYWXFYBZPNOFX-UHFFFAOYSA-N
InChI	InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
SMILES	NC1=CC(Cl)=C(Cl)C=C1

MNX internals

InChI (mnx)	InChI=1/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([Cl:7])=[C:6]([Cl:8])[CH:3]=[C:4]1[NH2:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16767 chebi:16767 SDYWXFYBZPNOFX-UHFFFAOYSA-N	3,4-dichloroaniline 1-amino-3,4-dichlorobenzene 3,4-DCA 3,4-Dichloranilin 3,4-Dichloroaniline 3,4-dichloraniline 3,4-dichlorobenzenamine 4,5-dichloroaniline m,p-dichloroaniline
kegg.compound:C02791 keggC:C02791 vmhM:34dchlanln vmhmetabolite:34dchlanln SDYWXFYBZPNOFX-UHFFFAOYSA-N	3,4-Dichloroaniline
hmdb:HMDB0246025 SDYWXFYBZPNOFX-UHFFFAOYSA-N	3,4-Dichloroaniline 1-Amino-3,4-dichlorobenzene 3,4-DCA 3,4-Dichloranilin 3,4-Dichloraniline 3,4-Dichlorobenzenamine 3,4-dichloroaniline 4,5-Dichloroaniline m,p-Dichloroaniline
seed.compound:cpd01801 seedM:cpd01801 SDYWXFYBZPNOFX-UHFFFAOYSA-N	3,4-Dichloroaniline 3,4-dichloroaniline
metacyc.compound:34-DICHLOROANILINE metacycM:34-DICHLOROANILINE SDYWXFYBZPNOFX-UHFFFAOYSA-N	3,4-dichloroaniline
envipath:...468f84f0cd17 envipathM:...468f84f0cd17 SDYWXFYBZPNOFX-UHFFFAOYSA-N	DCA
envipath:...45d7b022191e envipathM:...45d7b022191e SDYWXFYBZPNOFX-UHFFFAOYSA-N	DCA 3,4-Dichloroaniline (DCA)
envipath:...26249e3595e1 envipathM:...26249e3595e1 SDYWXFYBZPNOFX-UHFFFAOYSA-N	compound 0041964
chebi:11688 chebi:1371 chebi:19872 keggC:M_C02791 seedM:M_cpd01801 vmhM:M_34dchlanln	secondary/obsolete/fantasy identifier