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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:1-O-(4-oxoretinoyl)-beta-D-glucuronic acid
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Accession:CHEBI:84107 term browser browse the term
Definition:A ketoretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-oxoretinoic acid with beta-glucuronic acid.
Synonyms:exact_synonym: O(15)-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4-oxoretinoic acid
 related_synonym: 1-O-(4-oxoretinoyl)-beta-D-glucuronide;   1-O-(all-trans-4-oxoretinoyl)-beta-D-glucuronic acid;   1-O-(all-trans-4-oxoretinoyl)-beta-D-glucuronide;   Formula=C26H34O9;   InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1;   InChIKey=SIKFAVWPHMSCBL-QKLNHPSXSA-N;   SMILES=C\\C(\\C=C\\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
 xref: Reaxys:7523383
 cyclic_relationship: is_conjugate_acid_of CHEBI:139185


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  CHEBI ontology 19875
    role 19825
      chemical role 19339
        antioxidant 14254
          all-trans-retinoic acid 7421
            all-trans-4-oxoretinoic acid 109
              1-O-(4-oxoretinoyl)-beta-D-glucuronic acid 0
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  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
                            heteroorganic entity 19248
                              organochalcogen compound 18956
                                organooxygen compound 18879
                                  carbohydrates and carbohydrate derivatives 12268
                                    carbohydrate 12268
                                      carbohydrate derivative 11894
                                        glycosyl compound 10944
                                          glycoside 9227
                                            glycosiduronic acid 141
                                              glucosiduronic acid 141
                                                beta-D-glucosiduronic acid 47
                                                  1-O-(4-oxoretinoyl)-beta-D-glucuronic acid 0
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