Search MNXref
 Feedback

mycophenolic acid O-acyl-beta-D-glucuronide

PropertiesImage
MNX_IDMNXM19489 Image of MNXM19489
referencechebi:66982
formulaC23H27O12
global charge-1
mol weight495.457
InChIKeyQBMSTEZXAMABFF-UEARNRKISA-M
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
SMILESCOC1=C(C/C=C(\C)CCC(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C(O)=C2C(=O)OCC2=C1C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM19489
SMILES (mnx)[CH3:1]/[C:9](=[CH:4]\[CH2:6][C:11]1=[C:19]([O:32][CH3:3])[C:10]([CH3:2])=[C:12]2[CH2:8][O:33][C:22](=[O:31])[C:14]2=[C:15]1[OH:25])[CH2:5][CH2:7][C:13](=[O:24])[O:34][C@H:23]1[C@H:18]([OH:28])[C@@H:16]([OH:26])[C@H:17]([OH:27])[C@@H:20]([C:21](=[O:29])[OH:30])[O:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66982
chebi:66982
QBMSTEZXAMABFF-UEARNRKISA-M 		mycophenolic acid O-acyl-beta-D-glucuronide
1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-beta-D-glucopyranuronate
AcMPAG(1-)
mycophenolic acid O-acyl-glucuronide anion
mycophenolic acid O-acyl-glucuronide(1-)
mycophenolic acid acyl glucuronide(1-)
mycophenolic acid acyl-glucuronide(1-)
mycophenolic acid-O-acyl-beta-D-glucopyranuronoside(1-)

kegg.compound:C20383
keggC:C20383
QBMSTEZXAMABFF-UEARNRKISA-N 		Mycophenolic acid O-acyl-glucuronide
hmdb:HMDB0060491
QBMSTEZXAMABFF-UEARNRKISA-N 		Mycophenolic acid O-acyl-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxy}oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxy}oxane-2-carboxylic acid
AcMPAG
Mycophenolate O-acyl-glucuronide
Mycophenolate acyl glucuronide
Mycophenolate acyl-glucuronide
Mycophenolate-O-acyl-b-D-glucopyranuronoside
Mycophenolate-O-acyl-beta-D-glucopyranuronoside
Mycophenolic acid acyl glucuronide
Mycophenolic acid acyl-glucuronide
Mycophenolic acid-O-acyl-b-D-glucopyranuronoside
Mycophenolic acid-O-acyl-beta-D-glucopyranuronoside

seed.compound:cpd31072
seedM:cpd31072
QBMSTEZXAMABFF-UEARNRKISA-M 		Mycophenolic acid O-acyl-glucuronide
mycophenolic acid O-acyl-glucuronide

metacyc.compound:CPD-14602
metacycM:CPD-14602
QBMSTEZXAMABFF-UEARNRKISA-M 		mycophenolic acid O-acyl-glucuronide

reactome:R-ALL-5694574
reactomeM:R-ALL-5694574
CHEBI:64689
chebi:64689
QBMSTEZXAMABFF-UEARNRKISA-N 		mycophenolic acid O-acyl-glucuronide
1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-beta-D-glucopyranuronic acid
AcMPAG
mycophenolic acid acyl glucuronide
mycophenolic acid acyl-glucuronide
mycophenolic acid-O-acyl-beta-D-glucopyranuronoside

hmdb:HMDB60491
keggC:M_C20383
seedM:M_cpd31072 		secondary/obsolete/fantasy identifier