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CHEBI:62932 - mycophenolate

ChEBI IDCHEBI:62932
ChEBI Namemycophenolate
Stars
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.
Last Modified17 August 2012
SubmitterDavid Hill
DownloadsMolfile
FormulaC17H19O6
Net Charge-1
Average Mass319.333
Monoisotopic Mass319.11871
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2
InChIInChI=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)/p-1/b9-4+
InChIKeyHPNSFSBZBAHARI-RUDMXATFSA-M
ChEBI Ontology
Outgoing Relation(s)
mycophenolate (CHEBI:62932) is a monocarboxylic acid anion (CHEBI:35757)
mycophenolate (CHEBI:62932) is conjugate base of mycophenolic acid (CHEBI:168396)
Incoming Relation(s)
6-O-desmethylmycophenolate (CHEBI:231832) has functional parent mycophenolate (CHEBI:62932)
mycophenolate sodium (CHEBI:67155) has part mycophenolate (CHEBI:62932)
mycophenolic acid (CHEBI:168396) is conjugate acid of mycophenolate (CHEBI:62932)
IUPAC Name 
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
UniProt Name  Source
mycophenolateUniProt