CHEBI:64689 - mycophenolic acid O-acyl-glucuronide

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ChEBI Name mycophenolic acid O-acyl-glucuronide ChEBI ID CHEBI:64689 ChEBI ASCII Name mycophenolic acid O-acyl-glucuronide Definition A carboxylic ester resulting from the formal condensation of the carboxylic acid group of mycophenolic acid with the anomeric hydroxy group of β-D-glucuronic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H28O12 Net Charge 0 Average Mass 496.46120 Monoisotopic Mass 496.15808 InChI 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 ChEBI Ontology Outgoing mycophenolic acid O-acyl-glucuronide (CHEBI:64689) has functional parent β-D-glucuronic acid (CHEBI:28860) mycophenolic acid O-acyl-glucuronide (CHEBI:64689) has functional parent mycophenolic acid (CHEBI:168396) mycophenolic acid O-acyl-glucuronide (CHEBI:64689) is a β-D-glucosiduronic acid (CHEBI:15341) mycophenolic acid O-acyl-glucuronide (CHEBI:64689) is a γ-lactone (CHEBI:37581) mycophenolic acid O-acyl-glucuronide (CHEBI:64689) is a carboxylic ester (CHEBI:33308) mycophenolic acid O-acyl-glucuronide (CHEBI:64689) is a phenols (CHEBI:33853) mycophenolic acid O-acyl-glucuronide (CHEBI:64689) is conjugate acid of mycophenolic acid O-acyl-glucuronide(1−) (CHEBI:66982) Incoming mycophenolic acid O-acyl-glucuronide(1−) (CHEBI:66982) is conjugate base of mycophenolic acid O-acyl-glucuronide (CHEBI:64689) IUPAC Name 1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-β-D-glucopyranuronic acid Synonyms Sources AcMPAG ChEBI mycophenolic acid acyl glucuronide ChEBI mycophenolic acid acyl-glucuronide ChEBI mycophenolic acid-O-acyl-β-D-glucopyranuronoside ChEBI Registry Number Type Source 9103529 Reaxys Registry Number Reaxys Citations Types Sources 16931568 PubMed citation Europe PMC 17908922 PubMed citation Europe PMC 19744471 PubMed citation Europe PMC 21839692 PubMed citation Europe PMC 22294686 PubMed citation Europe PMC Last Modified 13 August 2012