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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:4-amino-4-de(dimethylamino)anhydrotetracycline
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Accession:CHEBI:28461 term browser browse the term
Definition:A member of the class of tetracyclines that is anhydrotetracycline in which the two methyl groups attached to the nitrogen have both been replaced by hydrogen.
Synonyms:exact_synonym: (4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
 related_synonym: 4-Amino-ATC;   4-Dedimethyl-6-dehydro-anhydrotetracycline;   4-amino-4-dedimethylamino-anhydrotetracycline;   Formula=C20H18N2O7;   InChI=1S/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-25,29H,5,21H2,1H3,(H2,22,28)/t9-,14-,20-/m0/s1;   InChIKey=INUFQOJZVFLXMQ-OWYOPICZSA-N;   SMILES=[C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2N)O)=O)O)[H];   didesmethylanhydrotetracycline
 alt_id: CHEBI:134662;   CHEBI:1818;   CHEBI:20354
 xref: KEGG:C06654;   LIPID_MAPS_instance:LMPK07000008;   MetaCyc:CPD-19270;   PMID:18422316;   Reaxys:18554733
 cyclic_relationship: is_tautomer_of CHEBI:133697


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  CHEBI ontology 19893
    role 19863
      biological role 19861
        biochemical role 19567
          metabolite 19554
            tetracyclines 526
              4-amino-4-de(dimethylamino)anhydrotetracycline 0
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Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    main group molecular entity 19830
                      s-block molecular entity 19664
                        hydrogen molecular entity 19646
                          hydrides 19154
                            organic hydride 18705
                              organic fundamental parent 18705
                                hydrocarbon 18451
                                  cyclic hydrocarbon 17241
                                    arene 17222
                                      polycyclic arene 17047
                                        ortho-fused polycyclic arene 9849
                                          acene 7799
                                            tetracene 7796
                                              tetracyclines 526
                                                4-amino-4-de(dimethylamino)anhydrotetracycline 0
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