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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:octanoyl-beta-D-glucuronide
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Accession:CHEBI:71003 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxylic acid group of octanoic (caprylic) acid with the anomeric hydroxy group of beta-D-glucuronic acid.
Synonyms:exact_synonym: 1-O-octanoyl-beta-D-glucopyranuronic acid
 related_synonym: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(octanoyloxy)tetrahydro-2H-pyran-2-carboxylic acid;   Formula=C14H24O8;   InChI=1S/C14H24O8/c1-2-3-4-5-6-7-8(15)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h9-12,14,16-18H,2-7H2,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1;   InChIKey=ASFORWUCPCKFPY-BYNIDDHOSA-N;   Octanoylglucuronide;   Octanoylglucuronoside;   SMILES=CCCCCCCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
 xref: CAS:99910-55-1;   HMDB:HMDB0010347;   PMID:22770225;   PMID:4064333


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  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            octanoyl-beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      carboxylic acid 18142
                                        monocarboxylic acid 17513
                                          uronic acid 14
                                            hexuronic acid 14
                                              glucuronic acids 13
                                                glucuronic acid 11
                                                  D-glucuronic acid 10
                                                    D-glucopyranuronic acid 10
                                                      beta-D-glucuronic acid 4
                                                        octanoyl-beta-D-glucuronide 0
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