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CHEBI:67219 - 3-(4-carboxybutanamido)-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium

ChEBI IDCHEBI:67219
ChEBI Name3-(4-carboxybutanamido)-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium
Stars
DefinitionA piperidinium ion that is benzamide substituted on nitrogen by a 2-hydroxyethyl group and at the 4-position by a [3-(4-carboxybutanamido)-N-methylpiperidinio]methyl group.
Last Modified18 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H32N3O5
Net Charge+1
Average Mass406.503
Monoisotopic Mass406.23365
SMILESC[N+]1(Cc2ccc(C(=O)NCCO)cc2)CCCC(NC(=O)CCCC(=O)O)C1
InChIInChI=1S/C21H31N3O5/c1-24(14-16-7-9-17(10-8-16)21(29)22-11-13-25)12-3-4-18(15-24)23-19(26)5-2-6-20(27)28/h7-10,18,25H,2-6,11-15H2,1H3,(H2-,22,23,26,27,28,29)/p+1
InChIKeyMPPPWHFHPXCSEX-UHFFFAOYSA-O
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
3-(4-carboxybutanamido)-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67219) has role hapten (CHEBI:59174)
3-(4-carboxybutanamido)-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67219) is a piperidinium ion (CHEBI:48633)
3-(4-carboxybutanamido)-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67219) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
3-(4-carboxybutanamido)-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium
Synonyms  Source
3-[(4-carboxybutanoyl)amino]-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidiniumIUPAC
N-(2-hydroxyethyl)-4-{[3-(4-carboxybutanamido)-N-methylpiperidinio]methyl}benzamideChEBI
N-(2-hydroxyethyl)-4-({3-[4-(carboxybutanoyl)amino]-N-methylpiperidinio}methyl)benzamideChEBI
N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-3-(4-carboxybutanamido)-N-methylpiperidiniumChEBI
N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-3-[(4-carboxybutanoyl)amino]-N-methylpiperidiniumChEBI
Manual XrefsDatabases
1UWGPDB
Citations