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Term:doxycycline monohydrate
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Accession:CHEBI:60648 term browser browse the term
Definition:The monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis.
Synonyms:exact_synonym: (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide--water (1/1)
 related_synonym: Formula=C22H26N2O9;   InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1;   InChIKey=XQTWDDCIUJNLTR-CVHRZJFOSA-N;   SMILES=O.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O;   doxycycline;   doxycycline hydrate
 xref: CAS:17086-28-1 "ChemIDplus";   CAS:17086-28-1 "KEGG DRUG";   DrugBank:DB00254;   KEGG:D00307

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  CHEBI ontology 19748
    role 19695
      chemical role 19211
        greenhouse gas 9923
          water 611
            hydrate 593
              doxycycline monohydrate 0
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  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    main group molecular entity 19628
                      s-block molecular entity 19393
                        hydrogen molecular entity 19382
                          hydrides 18296
                            organic hydride 17570
                              organic fundamental parent 17570
                                hydrocarbon 16994
                                  cyclic hydrocarbon 15106
                                    arene 15093
                                      polycyclic arene 14526
                                        ortho-fused polycyclic arene 9545
                                          acene 7495
                                            tetracene 7491
                                              tetracyclines 491
                                                doxycycline 55
                                                  doxycycline monohydrate 0
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