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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:clomocycline
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Accession:CHEBI:59589 term browser browse the term
Definition:Tetracycline in which the hydrogen at position 7 is substituted by chlorine and a hydrogen attached to the amide nitrogen is substituted by a hydroxymethyl group. A tetracyline antibiotic, it is used to treat acne, urinary tract infections, gum disease, and other bacterial infections such as gonorrhoea and chlamydia.
Synonyms:exact_synonym: (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
 related_synonym: Formula=C23H25ClN2O9;   InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1;   InChIKey=GJGDLRSSCNAKGL-KMVLDZISSA-N;   SMILES=[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C;   chlormethylenecycline;   clomocyclina;   clomocyclinum
 xref: CAS:1181-54-0;   DrugBank:DB00453;   Drug_Central:702;   KEGG:D06885;   Patent:BE628142


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Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        antimicrobial agent 256
          clomocycline 0
Path 2
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  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    main group molecular entity 5012
                      s-block molecular entity 4970
                        hydrogen molecular entity 4964
                          hydrides 4544
                            organic hydride 4388
                              organic fundamental parent 4388
                                hydrocarbon 4348
                                  cyclic hydrocarbon 106
                                    arene 110
                                      polycyclic arene 35
                                        ortho-fused polycyclic arene 12
                                          acene 8
                                            tetracene 9
                                              tetracyclines 1
                                                clomocycline 0
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