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> Main
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.
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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
-
[(4
E
)-
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