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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class of tetracyclines that is anhydrotetracycline in which the two methyl groups attached to the nitrogen have both been replaced by hydrogen.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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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            tetracyclines 504
              4-amino-4-de(dimethylamino)anhydrotetracycline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            organic hydride 18656
                              organic fundamental parent 18656
                                hydrocarbon 18396
                                  cyclic hydrocarbon 17214
                                    arene 17209
                                      polycyclic arene 17023
                                        ortho-fused polycyclic arene 9816
                                          acene 7784
                                            tetracene 7787
                                              tetracyclines 504
                                                4-amino-4-de(dimethylamino)anhydrotetracycline 0
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