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

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N,N-dimethylaniline N-oxide

	Properties	Image
MNX_ID	MNXM2260
reference	chebi:17735
formula	C₈H₁₁NO
global charge	0
mol weight	137.182
InChIKey	LKQUDAOAMBKKQW-UHFFFAOYSA-N
InChI	InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
SMILES	C[N+](C)([O-])C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
SMILES (mnx)	[CH3:1][N+:9]([CH3:2])([C:8]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[O-:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17735 chebi:17735 LKQUDAOAMBKKQW-UHFFFAOYSA-N	N,N-dimethylaniline N-oxide N,N-Dimethylaniline N-oxide dimethyl(phenyl)amine oxide dimethylaniline N-oxide
hmdb:HMDB0001466 LKQUDAOAMBKKQW-UHFFFAOYSA-N	Dimethylaniline-N-oxide Dimethyl(phenyl)amine oxide Dimethylaniline N-oxide Dimethylaniline N-oxide hydrochloride N,N-Dimethylaniline N-oxide N-methyl-N-phenylmethanamine oxide NN-Dimethylaniline-N-oxide dimethylaniline N-oxide
kegg.compound:C01183 keggC:C01183 LKQUDAOAMBKKQW-UHFFFAOYSA-N	N,N-Dimethylaniline N-oxide
seed.compound:cpd00872 seedM:cpd00872 LKQUDAOAMBKKQW-UHFFFAOYSA-N	N,N-Dimethylaniline N-oxide N,N-dimethylaniline-N-oxide nn-dimethylaniline-n-oxide
vmhM:nndmanlno vmhmetabolite:nndmanlno LKQUDAOAMBKKQW-UHFFFAOYSA-N	N,N-Dimethylaniline N-oxide N-methyl-N-phenylmethanamine oxide
metacyc.compound:NN-DIMETHYLANILINE-N-OXIDE metacycM:NN-DIMETHYLANILINE-N-OXIDE LKQUDAOAMBKKQW-UHFFFAOYSA-N	N,N-dimethylaniline-N-oxide
hmdb:HMDB01466 chebi:12424 chebi:21453 chebi:7075 keggC:M_C01183 seedM:M_cpd00872 vmhM:M_nndmanlno	secondary/obsolete/fantasy identifier