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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:demeclocycline
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Accession:CHEBI:4392 term browser browse the term
Definition:Tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an antibiotic, but being excreted more slowly, effective blood levels are maintained for longer. It is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.
Synonyms:exact_synonym: (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
 related_synonym: 6-demethyl-7-chlorotetracycline;   7-chloro-6-demethyltetracycline;   DMCT;   DMCTC;   Formula=C21H21ClN2O8;   InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1;   InChIKey=FMTDIUIBLCQGJB-SEYHBJAFSA-N;   SMILES=[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)ccc(Cl)c1[C@H]2O;   [4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-7-chloro-4-(dimethylamino)1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide;   demeclociclina;   demeclocyclinum;   demethylchlortetracycline
 alt_id: CHEBI:554084
 xref: Beilstein:2230579;   CAS:127-33-3;   DrugBank:DB00618;   Drug_Central:802;   KEGG:D00290;   KEGG:D03680
 xref_mesh: MESH:D003707
 xref: Patent:FR1344645;   Patent:US2878289;   Patent:US3012946;   Patent:US3019172;   Patent:US3050446;   Patent:US3154476;   Wikipedia:Demeclocycline


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demeclocycline term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Il1a interleukin 1 alpha multiple interactions ISO [IL6 protein co-treated with IL1A protein co-treated with TNF protein co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased susceptibility to Demeclocycline CTD PMID:19362101 NCBI chr 3:121,824,712...121,836,122
Ensembl chr 3:121,825,412...121,836,086
JBrowse link
G Il6 interleukin 6 multiple interactions ISO [IL6 protein co-treated with IL1A protein co-treated with TNF protein co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased susceptibility to Demeclocycline CTD PMID:19362101 NCBI chr 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO [IL6 protein co-treated with IL1A protein co-treated with TNF protein co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased susceptibility to Demeclocycline CTD PMID:19362101 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        biochemical role 19315
          metabolite 19296
            tetracyclines 494
              demeclocycline 3
                demeclocycline hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    main group molecular entity 19705
                      s-block molecular entity 19458
                        hydrogen molecular entity 19451
                          hydrides 18730
                            organic hydride 18292
                              organic fundamental parent 18292
                                hydrocarbon 18024
                                  cyclic hydrocarbon 17087
                                    arene 17083
                                      polycyclic arene 16903
                                        ortho-fused polycyclic arene 9663
                                          acene 7583
                                            tetracene 7580
                                              tetracyclines 494
                                                demeclocycline 3
                                                  demeclocycline hydrochloride 0
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