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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

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


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  CHEBI ontology 24830
    role 24747
      biological role 24716
        hapten 3055
          3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium 0
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  CHEBI ontology 24830
    subatomic particle 24789
      composite particle 24789
        hadron 24789
          baryon 24789
            nucleon 24789
              atomic nucleus 24789
                atom 24789
                  main group element atom 24656
                    main group molecular entity 24656
                      s-block molecular entity 23989
                        hydrogen molecular entity 23830
                          hydrides 22061
                            inorganic hydride 19343
                              pnictogen hydride 19317
                                nitrogen hydride 19021
                                  ammonium 8048
                                    ammonium ion derivative 8044
                                      piperidinium ion 42
                                        3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium 0
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