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

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5,6-dimethylbenzimidazole

	Properties	Image
MNX_ID	MNXM1531
reference	chebi:15890
formula	C₉H₁₀N₂
global charge	0
mol weight	146.193
InChIKey	LJUQGASMPRMWIW-UHFFFAOYSA-N
InChI	InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
SMILES	CC1=C(C)C=C2NC=NC2=C1

MNX internals

InChI (mnx)	InChI=1/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
SMILES (mnx)	[CH3:1][C:6]1=[CH:3][C:8]2=[C:9]([CH:4]=[C:7]1[CH3:2])[NH:11][CH:5]=[N:10]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	36

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15890 chebi:15890 LJUQGASMPRMWIW-UHFFFAOYSA-N	5,6-dimethylbenzimidazole 5,6-DIMETHYLBENZIMIDAZOLE 5,6-Dimethylbenzimidazole 5,6-dimethyl-1H-benzimidazole Dimedazol Dimedazole Dimesol Dimethylbenzimidazole Dimezol
bigg.metabolite:dmbzid biggM:dmbzid LJUQGASMPRMWIW-UHFFFAOYSA-N	5,6-Dimethylbenzimidazole
vmhM:dmbzid vmhmetabolite:dmbzid LJUQGASMPRMWIW-UHFFFAOYSA-N	5,6-Dimethylbenzimidazole 5,6-dimethyl-1H-1,3-benzodiazole
metacyc.compound:DIMETHYLBENZIMIDAZOLE metacycM:DIMETHYLBENZIMIDAZOLE LJUQGASMPRMWIW-UHFFFAOYSA-N	5,6-dimethylbenzimidazole DMB dimethylbenzimidazole
hmdb:HMDB0003701 LJUQGASMPRMWIW-UHFFFAOYSA-N	Dimethylbenzimidazole 5,6-Dimethyl-1H-benzimidazole 5,6-Dimethylbenzimidazole 5,6-Dimethylbenzimidazole hydrochloride 5,6-dimethyl-1H-1,3-benzodiazole 5,6-dimethylbenzimidazole Dimedazol Dimedazole Dimesol Dimezol DimezolDimedazol
sabiork.compound:6457 sabiorkM:6457 kegg.compound:C03114 keggC:C03114 LJUQGASMPRMWIW-UHFFFAOYSA-N	Dimethylbenzimidazole 5,6-Dimethylbenzimidazole
seed.compound:cpd01997 seedM:cpd01997 LJUQGASMPRMWIW-UHFFFAOYSA-N	Dimethylbenzimidazole 5,6-Dimethylbenzimidazole 5,6-dimethylbenzimidazole DMB dimethylbenzimidazole dmbzid
hmdb:HMDB03701 chebi:14172 chebi:20516 chebi:42126 chebi:4620 biggM:M_dmbzid keggC:M_C03114 seedM:M_cpd01997 vmhM:M_dmbzid	secondary/obsolete/fantasy identifier