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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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Term Annotations click to browse term
  CHEBI ontology 24379
    role 24289
      biological role 24256
        biochemical role 23645
          metabolite 23564
            octanoyl-beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24379
    subatomic particle 24336
      composite particle 24336
        hadron 24336
          baryon 24336
            nucleon 24336
              atomic nucleus 24336
                atom 24336
                  main group element atom 24182
                    p-block element atom 24182
                      carbon group element atom 23964
                        carbon atom 23925
                          organic molecular entity 23925
                            organic group 22217
                              organic divalent group 22191
                                organodiyl group 22191
                                  carbonyl group 22174
                                    carbonyl compound 22174
                                      carboxylic acid 21200
                                        monocarboxylic acid 20098
                                          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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