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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:benzylpenicillin clemizole
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Accession:CHEBI:52139 term browser browse the term
Definition:A clemizole(1+) salt that has formula C16H17N2O4S.C19H21ClN3.
Synonyms:exact_synonym: 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate
 related_synonym: 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;   Clemizole penicillin;   Clemizolpenicillin;   Formula=C16H17N2O4S.C19H21ClN3;   Formula=C35H38ClN5O4S;   InChI=1S/C19H20ClN3.C16H18N2O4S/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h1-2,5-10H,3-4,11-14H2;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t;11-,12+,14-/m.1/s1;   InChIKey=GKPMEGXMKPQRTN-CBDIPHIASA-N;   SMILES=Clc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc23)cc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O;   clemizol-penicilina;   clemizole penicilline;   clemizolum penicillinum;   penicillin G clemizole
 xref: Beilstein:3895335;   CAS:6011-39-8;   KEGG:D07712


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Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        pharmacological role 18821
          antagonist 16219
            histamine antagonist 4606
              H1-receptor antagonist 4102
                benzylpenicillin clemizole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        carboacyl group 17369
                                          univalent carboacyl group 17369
                                            carbamoyl group 17156
                                              carboxamide 17156
                                                lactam 8032
                                                  beta-lactam 792
                                                    beta-lactam antibiotic 780
                                                      penams 262
                                                        penamcarboxylate 0
                                                          penicillinate anion 0
                                                            benzylpenicillin(1-) 0
                                                              benzylpenicillin clemizole 0
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