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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19877
    role 19827
      biological role 19827
        biochemical role 19362
          metabolite 19342
            octanoyl-beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19877
    subatomic particle 19875
      composite particle 19875
        hadron 19875
          baryon 19875
            nucleon 19875
              atomic nucleus 19875
                atom 19875
                  main group element atom 19765
                    p-block element atom 19765
                      carbon group element atom 19670
                        carbon atom 19659
                          organic molecular entity 19659
                            organic group 18571
                              organic divalent group 18562
                                organodiyl group 18562
                                  carbonyl group 18471
                                    carbonyl compound 18471
                                      carboxylic acid 18147
                                        monocarboxylic acid 17518
                                          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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