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CHEBI:62932 - mycophenolate
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ChEBI Name
mycophenolate
ChEBI ID
CHEBI:62932
Definition
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
David Hill
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Formula
C17H19O6
Net Charge
-1
Average Mass
319.32920
Monoisotopic Mass
319.11871
InChI
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)
/p-
1/b9-
4+
InChIKey
HPNSFSBZBAHARI-RUDMXATFSA-M
SMILES
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC([O-])=O
ChEBI Ontology
Outgoing
mycophenolate (
CHEBI:62932
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
mycophenolate (
CHEBI:62932
)
is conjugate base of
mycophenolic acid (
CHEBI:168396
)
Incoming
mycophenolate sodium (
CHEBI:67155
)
has part
mycophenolate (
CHEBI:62932
)
mycophenolic acid (
CHEBI:168396
)
is conjugate acid of
mycophenolate (
CHEBI:62932
)
IUPAC Name
(4
E
)-
6-
(4-
hydroxy-
6-
methoxy-
7-
methyl-
3-
oxo-
1,3-
dihydro-
2-
benzofuran-
5-
yl)-
4-
methylhex-
4-
enoate
Synonym
Source
mycophenolate
UniProt
Last Modified
17 August 2012