Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

ONTOLOGY REPORT - ANNOTATIONS


Term:doxycycline HCl
go back to main search page
Accession:CHEBI:652992 term browser browse the term
Definition:The hydrochloride salt of doxycycline.
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 hydrochloride
 related_synonym: (1S,4aS,11R,11aR,12S,12aR)-3-carbamoyl-2,4a,5,7,12-pentahydroxy-N,N,11-trimethyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-1-aminium chloride;   6-desoxy-5-hydroxytetracycline hydrochloride;   Formula=C22H25ClN2O8;   InChI=1S/C22H24N2O8.ClH/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);1H/t7-,10+,14+,15-,17-,22-;/m0./s1;   InChIKey=RUYHIJHUVHIMIR-CVHRZJFOSA-N;   SMILES=[Cl-].[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]([NH+](C)C)[C@]1([H])[C@H]2O;   alpha-6-deoxy-5-hydroxytetracycline hydrochloride
 alt_id: CHEBI:435234
 xref: CAS:10592-13-9 "ChemIDplus";   CAS:10592-13-9 "KEGG DRUG";   KEGG:D07877;   Reaxys:5702728 "Reaxys"


show annotations for term's descendants       view all columns           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      biological role 19693
        biochemical role 19191
          metabolite 19162
            tetracyclines 491
              doxycycline 55
                doxycycline HCl 0
                  doxycycline hyclate 0
Path 2
Term Annotations click to browse term
  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 HCl 0
                                                    doxycycline hyclate 0
paths to the root

NHLBI Logo

RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.