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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:mycophenolic acid O-acyl-glucuronide
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Accession:CHEBI:64689 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxylic acid group of mycophenolic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
Synonyms:exact_synonym: 1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-beta-D-glucopyranuronic acid
 related_synonym: AcMPAG;   Formula=C23H28O12;   InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1;   InChIKey=QBMSTEZXAMABFF-UEARNRKISA-N;   SMILES=COc1c(C)c2COC(=O)c2c(O)c1C\\C=C(/C)CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O;   mycophenolic acid acyl-glucuronide;   mycophenolic acid-O-acyl-beta-D-glucopyranuronoside
 xref: PMID:16931568;   PMID:17908922;   PMID:19744471;   PMID:21839692;   PMID:22294686;   Reaxys:9103529
 cyclic_relationship: is_conjugate_acid_of CHEBI:66982


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Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      biological role 25936
        antimicrobial agent 21902
          mycophenolic acid 117
            mycophenolic acid O-acyl-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  carbon oxoacid 22757
                                    carboxylic acid 22737
                                      monocarboxylic acid 21735
                                        uronic acid 16
                                          hexuronic acid 16
                                            glucuronic acids 15
                                              glucuronic acid 13
                                                D-glucuronic acid 12
                                                  D-glucopyranuronic acid 12
                                                    beta-D-glucuronic acid 4
                                                      mycophenolic acid O-acyl-glucuronide 0
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