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ONTOLOGY REPORT - ANNOTATIONS


Term:3-dehydroquinic acid
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Accession:CHEBI:17947 term browser browse the term
Definition:A 4-oxo monocarboxylic acid derived from quinic acid by oxidation of the hydroxy group at position 3 to the corresponding keto group.
Synonyms:exact_synonym: rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylic acid
 related_synonym: 5-Dehydroquinic acid;   Formula=C7H10O6;   InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1;   InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-N;   SMILES=O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(O)=O
 alt_id: CHEBI:1487;   CHEBI:19997;   CHEBI:42078
 xref: DrugBank:DB03868;   HMDB:HMDB0012710;   KEGG:C00944;   KNApSAcK:C00019664;   MetaCyc:DEHYDROQUINATE;   PDBeChem:DQA;   PMID:11603966 "Europe PMC";   PMID:13198937 "Europe PMC";   PMID:14269300 "Europe PMC";   PMID:14524706 "Europe PMC";   Reaxys:2115114 "Reaxys";   Wikipedia:3-Dehydroquinic_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:32364


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  CHEBI ontology 19764
    role 19711
      biological role 19710
        biochemical role 19210
          metabolite 19184
            prokaryotic metabolite 18271
              bacterial metabolite 18271
                Escherichia coli metabolite 18168
                  3-dehydroquinic acid 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
                                      carboxylic acid 17978
                                        hydroxy carboxylic acid 3597
                                          hydroxy monocarboxylic acid 3597
                                            cyclitol carboxylic acid 123
                                              quinic acid 123
                                                (-)-quinic acid 123
                                                  3-dehydroquinic acid 0
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