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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+)
ChEBI ID CHEBI:139164
Definition An ammonium ion resulting from the protonation of the amino group of 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H24NO3
Net Charge +1
Average Mass 254.346
Monoisotopic Mass 254.17507
InChI InChI=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
InChIKey LGEIPBYULZCRGR-UHFFFAOYSA-O
SMILES C(C[NH+](CC1=CC=C(C=C1)OC)C)(C)(CO)CO
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol UniProt
2-{[(p-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+) ChEBI
Citation Waiting for Citations Type Source
28600384 PubMed citation Europe PMC
Last Modified
30 November 2017