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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:chlorhexidine gluconate
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Accession:CHEBI:28312 term browser browse the term
Definition:A D-gluconate adduct that has formula C22H30Cl2N10.2C6H12O7.
Synonyms:exact_synonym: N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2)
 related_synonym: 1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate;   Formula=C22H30Cl2N10.2C6H12O7;   Formula=C34H54Cl2N10O14;   Hibiclens;   InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1;   InChIKey=YZIYKJHYYHPJIB-UUPCJSQJSA-N;   Peridex;   SMILES=OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1;   chlorhexidine D-digluconate;   chlorhexidine di-D-gluconate;   chlorhexidine digluconate
 alt_id: CHEBI:23112;   CHEBI:3615
 xref: Beilstein:4348068;   CAS:18472-51-0;   KEGG:D00858
 xref_mesh: MESH:C010882



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Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gpt glutamic--pyruvic transaminase increases secretion EXP chlorhexidine gluconate results in increased secretion of GPT protein CTD PMID:145039 NCBI chr 7:108,416,646...108,419,495
Ensembl chr 7:108,416,642...108,419,494
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  CHEBI ontology 19808
    role 19757
      biological role 19757
        antimicrobial agent 17401
          antibacterial agent 13565
            chlorhexidine gluconate 1
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  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      carbon group element atom 19626
                        carbon atom 19616
                          organic molecular entity 19616
                            organic ion 9153
                              organic anion 3058
                                carboxylic acid anion 2400
                                  carbohydrate acid anion 21
                                    aldonate 21
                                      hexonate 21
                                        gluconates 21
                                          D-gluconate adduct 21
                                            chlorhexidine gluconate 1
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