EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139164 - 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+)

ChEBI IDCHEBI:139164
ChEBI Name2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the amino group of 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol.
Last Modified30 November 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H24NO3
Net Charge+1
Average Mass254.350
Monoisotopic Mass254.17507
SMILESCOc1ccc(C[NH+](C)CC(C)(CO)CO)cc1
InChIInChI=1S/C14H23NO3/c1-14(10-16,11-17)9-15(2)8-12-4-6-13(18-3)7-5-12/h4-7,16-17H,8-11H2,1-3H3/p+1
InChIKeyLGEIPBYULZCRGR-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+) (CHEBI:139164) is a ammonium ion derivative (CHEBI:35274)
2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+) (CHEBI:139164) is conjugate acid of 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol (CHEBI:139163)
Incoming Relation(s)
2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol (CHEBI:139163) is conjugate base of 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+) (CHEBI:139164)
IUPAC Name 
3-hydroxy-2-(hydroxymethyl)-N-(4-methoxybenzyl)-N,2-dimethylpropan-1-aminium
Synonym  Source
2-{[(p-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+)ChEBI
UniProt Name  Source
2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diolUniProt
Citations