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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-oxocyclohexanecarboxylic acid
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Accession:CHEBI:1921 term browser browse the term
Definition:A 5-oxo monocarboxylic acid that is cyclohexanone in which one of the hydrogens at position 4 is substituted by a carboxylic acid group.
Synonyms:related_synonym: 1-cyclohexanone-4-carboxylic acid;   4-Ketocyclohexanecarboxylic acid;   Formula=C7H10O3;   InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10);   InChIKey=OWLXUYGCLDGHJJ-UHFFFAOYSA-N;   SMILES=OC(=O)C1CCC(=O)CC1;   cyclohexanone-4-carboxylic acid
 xref: Beilstein:1635956;   CAS:874-61-3;   KEGG:C03767;   PMID:14767139;   PMID:16789736;   PMID:3292236;   PMID:4831062;   PMID:8281951;   Reaxys:1635956
 cyclic_relationship: is_conjugate_acid_of CHEBI:15777


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            xenobiotic metabolite 0
              human xenobiotic metabolite 0
                cyclohexanone 0
                  4-oxocyclohexanecarboxylic acid 0
                    4-oxocyclohex-2-ene-1-carboxylic acid 0
                    ethyl 4-oxocyclohexanecarboxylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        alicyclic ketone 0
                                          cyclohexanones 0
                                            cyclohexanone 0
                                              4-oxocyclohexanecarboxylic acid 0
                                                4-oxocyclohex-2-ene-1-carboxylic acid 0
                                                ethyl 4-oxocyclohexanecarboxylate 0
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