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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(1-)
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Accession:CHEBI:66982 term browser browse the term
Definition:A carbohydrate acid derivative anion that is the conjugate base of mycophenolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
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-glucopyranuronate
 related_synonym: AcMPAG(1-);   Formula=C23H27O12;   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)/p-1/b9-4+/t16-,17-,18+,20-,23+/m0/s1;   InChIKey=QBMSTEZXAMABFF-UEARNRKISA-M;   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 O-acyl-beta-D-glucuronide;   mycophenolic acid O-acyl-glucuronide anion;   mycophenolic acid acyl-glucuronide(1-);   mycophenolic acid-O-acyl-beta-D-glucopyranuronoside(1-)
 xref: PMID:22294686
 cyclic_relationship: is_conjugate_base_of CHEBI:64689


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  CHEBI ontology 19831
    chemical entity 19829
      molecular entity 19829
        ion 16707
          anion 16084
            organic anion 3613
              carboxylic acid anion 2480
                carbohydrate acid derivative anion 0
                  mycophenolic acid O-acyl-glucuronide(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic ion 9870
                              organic anion 3613
                                carboxylic acid anion 2480
                                  carbohydrate acid anion 21
                                    carbohydrate acid derivative anion 0
                                      mycophenolic acid O-acyl-glucuronide(1-) 0
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