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ONTOLOGY REPORT - ANNOTATIONS


Term:3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium
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Accession:CHEBI:67219 term browser browse the term
Definition:A 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.
Synonyms:related_synonym: 3-[(4-carboxybutanoyl)amino]-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium;   Formula=C21H32N3O5;   InChI=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;   InChIKey=MPPPWHFHPXCSEX-UHFFFAOYSA-O;   N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-3-(4-carboxybutanamido)-N-methylpiperidinium;   N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-3-[(4-carboxybutanoyl)amino]-N-methylpiperidinium;   N-(2-hydroxyethyl)-4-({3-[4-(carboxybutanoyl)amino]-N-methylpiperidinio}methyl)benzamide;   N-(2-hydroxyethyl)-4-{[3-(4-carboxybutanamido)-N-methylpiperidinio]methyl}benzamide;   SMILES=C[N+]1(CCCC(C1)NC(=O)CCCC(O)=O)Cc1ccc(cc1)C(=O)NCCO
 xref: PDB:1UWG;   PMID:14988504 "Europe PMC"


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  CHEBI ontology 19764
    role 19711
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          3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium 0
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  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    main group molecular entity 19646
                      s-block molecular entity 19408
                        hydrogen molecular entity 19397
                          hydrides 18356
                            inorganic hydride 17210
                              pnictogen hydride 17174
                                nitrogen hydride 17008
                                  ammonium 8219
                                    ammonium ion derivative 8214
                                      piperidinium ion 39
                                        3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium 0
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