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ONTOLOGY REPORT - ANNOTATIONS


Term:tigecycline
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Accession:CHEBI:149836 term browser browse the term
Definition:Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms.
Synonyms:exact_synonym: (4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
 related_synonym: (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide;   Formula=C29H39N5O8;   InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1;   InChIKey=FPZLLRFZJZRHSY-HJYUBDRYSA-N;   SMILES=[H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(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])C2)N(C)C
 alt_id: CHEBI:29696;   CHEBI:473970
 xref: CAS:220620-09-7;   DrugBank:DB00560;   Drug_Central:2661;   KEGG:C12012;   KEGG:D01079
 xref_mesh: MESH:C119092
 xref: PMID:17194827;   PMID:17210772;   PMID:17220399;   PMID:17307973;   PMID:17353238;   PMID:17353249;   Reaxys:8379453
 cyclic_relationship: is_conjugate_base_of CHEBI:142708


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tigecycline term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Bad BCL2-associated agonist of cell death JBrowse link 1 222,198,516 222,207,459 RGD:6480464
G Bcl2 BCL2, apoptosis regulator JBrowse link 13 26,605,426 26,769,374 RGD:6480464
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G Ccl3 C-C motif chemokine ligand 3 JBrowse link 10 70,869,516 70,871,066 RGD:6480464
G Ccl4 C-C motif chemokine ligand 4 JBrowse link 10 70,870,926 70,886,357 RGD:6480464
G Cycs cytochrome c, somatic JBrowse link 4 80,331,226 80,333,326 RGD:6480464
G Il1b interleukin 1 beta JBrowse link 3 121,876,256 121,882,637 RGD:6480464
G Il6 interleukin 6 JBrowse link 4 3,043,231 3,047,807 RGD:6480464
G Tnf tumor necrosis factor JBrowse link 20 5,189,382 5,192,000 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19778
    role 19725
      biological role 19724
        biochemical role 19214
          metabolite 19189
            tetracyclines 490
              tigecycline 9
                11a-hydroxytigecycline(1+) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19778
    subatomic particle 19776
      composite particle 19776
        hadron 19776
          baryon 19776
            nucleon 19776
              atomic nucleus 19776
                atom 19776
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19556
                        carbon atom 19545
                          organic molecular entity 19545
                            organic group 18459
                              organic divalent group 18453
                                organodiyl group 18453
                                  carbonyl group 18354
                                    carbonyl compound 18354
                                      ketone 15984
                                        oxyketone 8560
                                          alpha-oxyketone 8560
                                            alpha-hydroxy ketone 8560
                                              tertiary alpha-hydroxy ketone 8282
                                                tigecycline 9
                                                  11a-hydroxytigecycline(1+) 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.