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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:calcidiol 3-O-(beta-D-glucuronide)
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Accession:CHEBI:139613 term browser browse the term
Definition:A steroid glucosiduronic acid that is calcidiol in which the hydroxy hydrogen at position 3 has been replaced by a beta-D-glucuronyl residue.
Synonyms:exact_synonym: (1S,3Z)-3-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexyl beta-D-glucopyranosiduronic acid
 related_synonym: (3S,5Z,7E)-25-hydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl beta-D-glucopyranosiduronic acid;   25(OH)D33G;   25-hydroxyvitamin D3 3-O-(beta-D-glucuronic acid);   25-hydroxyvitamin D3 3-O-(beta-D-glucuronide);   25-hydroxyvitamin D3 3-glucuronide;   Formula=C33H52O8;   InChI=1S/C33H52O8/c1-19-10-13-23(40-31-28(36)26(34)27(35)29(41-31)30(37)38)18-22(19)12-11-21-9-7-17-33(5)24(14-15-25(21)33)20(2)8-6-16-32(3,4)39/h11-12,20,23-29,31,34-36,39H,1,6-10,13-18H2,2-5H3,(H,37,38)/b21-11+,22-12-/t20-,23+,24-,25+,26+,27+,28-,29+,31-,33-/m1/s1;   InChIKey=RYOQRDXVFJRWFJ-VIVSZJOJSA-N;   SMILES=C1[C@]2([C@](/C(=C/C=C/3\\C(CC[C@@H](C3)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(=O)O)=C)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C;   calcidiol 3-O-(beta-D-glucuronic acid);   calcidiol 3-O-glucoronide;   calcidiol 3-beta-glucuronide;   calcidiol 3-glucuronide
 xref: PMID:24641623;   PMID:28622619;   Reaxys:7401269
 cyclic_relationship: is_conjugate_acid_of CHEBI:139278



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19915
    role 19885
      biological role 19883
        biochemical role 19566
          metabolite 19570
            calcidiol 102
              calcidiol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            heteroorganic entity 19542
                              organochalcogen compound 19302
                                organooxygen compound 19218
                                  carbohydrates and carbohydrate derivatives 15304
                                    carbohydrate 15286
                                      carbohydrate derivative 14300
                                        glycosyl compound 13065
                                          glycoside 11848
                                            glycosiduronic acid 201
                                              glucosiduronic acid 201
                                                beta-D-glucosiduronic acid 47
                                                  calcidiol 3-O-(beta-D-glucuronide) 0
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