CHEBI:66982 - mycophenolic acid O-acyl-glucuronide(1−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name mycophenolic acid O-acyl-glucuronide(1−) ChEBI ID CHEBI:66982 ChEBI ASCII Name mycophenolic acid O-acyl-glucuronide(1-) 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H27O12 Net Charge -1 Average Mass 495.45330 Monoisotopic Mass 495.15080 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)/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 ChEBI Ontology Outgoing mycophenolic acid O-acyl-glucuronide(1−) (CHEBI:66982) is a carbohydrate acid derivative anion (CHEBI:63551) mycophenolic acid O-acyl-glucuronide(1−) (CHEBI:66982) is conjugate base of mycophenolic acid O-acyl-glucuronide (CHEBI:64689) Incoming mycophenolic acid O-acyl-glucuronide (CHEBI:64689) is conjugate acid of mycophenolic acid O-acyl-glucuronide(1−) (CHEBI:66982) 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-glucopyranuronate Synonyms Sources AcMPAG(1−) ChEBI mycophenolic acid acyl glucuronide(1−) ChEBI mycophenolic acid acyl-glucuronide(1−) ChEBI mycophenolic acid O-acyl-β-D-glucuronide UniProt mycophenolic acid O-acyl-glucuronide anion ChEBI mycophenolic acid-O-acyl-β-D-glucopyranuronoside(1−) ChEBI Citation Last Modified 21 April 2020