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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:11a-hydroxytetracycline
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Accession:CHEBI:134017 term browser browse the term
Definition:A member of the class of tetracyclines obtained by selective hydroxylation at position 11a of tetracycline.
Synonyms:exact_synonym: (4S,4aS,5aR,6S,11aS,12aR)-4-(dimethylamino)-3,6,10,11a,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide
 related_synonym: Formula=C22H24N2O9;   InChI=1S/C22H24N2O9/c1-20(31)8-5-4-6-10(25)12(8)16(27)22(33)11(20)7-9-14(24(2)3)15(26)13(18(23)29)17(28)21(9,32)19(22)30/h4-6,9,11,14,25-26,31-33H,7H2,1-3H3,(H2,23,29)/t9-,11+,14-,20+,21+,22-/m0/s1;   InChIKey=FWVRSACGGAUWNP-BWOONYPSSA-N;   SMILES=C12=CC=CC(=C1C([C@]3([C@](C[C@]4([C@@H](C(O)=C(C([C@@]4(O)C3=O)=O)C(N)=O)N(C)C)[H])([C@]2(C)O)[H])O)=O)O
 xref: MetaCyc:CPD-19252;   PMID:23999299
 cyclic_relationship: is_tautomer_of CHEBI:132727



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Path 1
Term Annotations click to browse term
  CHEBI ontology 5059
    role 5022
      biological role 5022
        antimicrobial agent 259
          tetracycline 1
            11a-hydroxytetracycline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5059
    subatomic particle 5050
      composite particle 5050
        hadron 5050
          baryon 5050
            nucleon 5050
              atomic nucleus 5050
                atom 5050
                  main group element atom 5017
                    p-block element atom 5014
                      carbon group element atom 4932
                        carbon atom 4931
                          organic molecular entity 4931
                            organic group 4647
                              organic divalent group 4645
                                organodiyl group 4645
                                  carbonyl group 4644
                                    carbonyl compound 4644
                                      ketone 4367
                                        oxyketone 4317
                                          alpha-oxyketone 4317
                                            alpha-hydroxy ketone 4317
                                              tertiary alpha-hydroxy ketone 24
                                                tetracycline 1
                                                  11a-hydroxytetracycline 0
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