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

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dodecyltrimethylammonium bromide

	Properties	Image
MNX_ID	MNXM125095
reference	chebi:282662
formula	C₁₅H₃₄BrN
global charge	0
mol weight	308.348
InChIKey	XJWSAJYUBXQQDR-UHFFFAOYSA-M
InChI	InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
SMILES	CCCCCCCCCCCC[N+](C)(C)C.[Br-]

MNX internals

InChI (mnx)	InChI=1/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;
SMILES (mnx)	[BrH:17].[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N+:16]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:282662 chebi:282662 XJWSAJYUBXQQDR-UHFFFAOYSA-M	dodecyltrimethylammonium bromide DDTMABr DTAB Dctab LTAB Laurtrimonium bromide Lauryltrimethylaminium bromide Lauryltrimethylammonium bromide Morpan D N,N,N-Trimethyl-1-dodecanaminiuim bromide N,N,N-Trimethyldodecan-1-ammonium bromide N,N,N-trimethyldodecan-1-aminium bromide N-Lauryl-N,N,N-trimethylammonium bromide Trimethyldodecylammonium bromide Trimethyllaurylammonium bromide
seed.compound:cpd31077 seedM:cpd31077 kegg.compound:C20389 keggC:C20389 XJWSAJYUBXQQDR-UHFFFAOYSA-M	Lauryltrimethylaminium bromide Dodecyltrimethylammonium bromide LTAB
keggC:M_C20389 seedM:M_cpd31077	secondary/obsolete/fantasy identifier