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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
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Accession:CHEBI:168396 term browser browse the term
Definition:A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.
Synonyms:exact_synonym: (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
 related_synonym: (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid;   Formula=C17H20O6;   InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+;   InChIKey=HPNSFSBZBAHARI-RUDMXATFSA-N;   Mycophenolate;   Mycophenolsaeure;   SMILES=COc1c(C)c2COC(=O)c2c(O)c1C\\C=C(/C)CCC(O)=O;   acide mycophenolique;   acido micofenolico;   acidum mycophenolicum
 alt_id: CHEBI:43973
 xref: Beilstein:318158;   CAS:24280-93-1;   DrugBank:DB01024;   Drug_Central:1860;   KEGG:D05096
 xref_mesh: MESH:D009173
 xref: PDBeChem:MOA;   PMID:11272311;   PMID:15470161;   PMID:16629948;   PMID:16640327;   PMID:17482154;   PMID:17498396;   PMID:18194117;   PMID:18611107;   PMID:18996104;   PMID:19689217;   Patent:US4753935;   Reaxys:318158;   Wikipedia:Mycophenolic_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:62932

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          mycophenolic acid 0
            mycophenolate mofetil 0
            mycophenolic acid O-acyl-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          unsaturated fatty acid 0
                                            monounsaturated fatty acid 0
                                              hexenoic acid 0
                                                hex-4-enoic acid 0
                                                  mycophenolic acid 0
                                                    mycophenolate mofetil 0
                                                    mycophenolic acid O-acyl-glucuronide 0
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