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CHEBI:46087 - 6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium

ChEBI IDCHEBI:46087
ChEBI Name6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium
Stars
DefinitionA carboxamidinium ion consisting of 2,3,4,5-tetrahydropyridinium having a (4-aminobenzyl)amino group at the 2-position.
Last Modified11 January 2017
DownloadsMolfile
FormulaC12H18N3
Net Charge+1
Average Mass204.297
Monoisotopic Mass204.14952
SMILESNc1ccc(CNC2=[NH+]CCCC2)cc1
InChIInChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1
InChIKeyFWTCHDHYLQERRE-UHFFFAOYSA-O
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (CHEBI:46087) has role epitope (CHEBI:53000)
6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (CHEBI:46087) is a carboxamidinium ion (CHEBI:77718)
IUPAC Name 
6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium
Synonyms  Source
2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUMPDBeChem
6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridiniumPDBeChem
Manual XrefsDatabases
TPMPDBeChem
1F3DPDB
Citations