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

ChEBI IDCHEBI:66982
ChEBI Namemycophenolic acid O-acyl-glucuronide(1−)
Stars
ASCII Namemycophenolic acid O-acyl-glucuronide(1-)
DefinitionA 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.
Last Modified21 April 2020
SubmitterKAX
DownloadsMolfile
FormulaC23H27O12
Net Charge-1
Average Mass495.457
Monoisotopic Mass495.15080
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC2
InChIInChI=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
InChIKeyQBMSTEZXAMABFF-UEARNRKISA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
mycophenolic acid O-acyl-glucuronide anionChEBI
AcMPAG(1−)ChEBI
mycophenolic acid-O-acyl-β-D-glucopyranuronoside(1−)ChEBI
mycophenolic acid acyl glucuronide(1−)ChEBI
mycophenolic acid acyl-glucuronide(1−)ChEBI
UniProt Name  Source
mycophenolic acid O-acyl-β-D-glucuronideUniProt
Citations