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ONTOLOGY REPORT - ANNOTATIONS


Term:desmethylanhydrotetracycline
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Accession:CHEBI:134655 term browser browse the term
Definition:A member of the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen.
Synonyms:exact_synonym: (4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
 related_synonym: 4-Methylamino-4-de(dimethylamino)anhydrotetracycline;   4-methylamino-4-dedimethylamino-anhydrotetracycline;   Formula=C21H20N2O7;   InChI=1S/C21H20N2O7/c1-7-8-4-3-5-11(24)12(8)16(25)13-9(7)6-10-15(23-2)17(26)14(20(22)29)19(28)21(10,30)18(13)27/h3-5,10,15,23-26,30H,6H2,1-2H3,(H2,22,29)/t10-,15-,21-/m0/s1;   InChIKey=IIHPMGDKNZPGON-QYAMTVPHSA-N;   N-desmethylanhydrotetracycline;   SMILES=[C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2NC)O)=O)O)[H]
 xref: KEGG:C21436;   MetaCyc:CPD-19271;   Reaxys:18554732 "Reaxys"
 cyclic_relationship: is_tautomer_of CHEBI:133696


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Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      biological role 19710
        biochemical role 19210
          metabolite 19184
            tetracyclines 490
              desmethylanhydrotetracycline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic group 18432
                              organic divalent group 18423
                                organodiyl group 18423
                                  carbonyl group 18311
                                    carbonyl compound 18311
                                      ketone 15925
                                        oxyketone 8483
                                          alpha-oxyketone 8483
                                            alpha-hydroxy ketone 8483
                                              tertiary alpha-hydroxy ketone 8271
                                                desmethylanhydrotetracycline 0
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