U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28O12
Molecular Weight 496.4612
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MYCOPHENOLIC ACID GLUCURONIDE

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1C\C=C(/C)CCC(O)=O

InChI

InChIKey=BYFGTSAYQQIUCN-HGIHDBQLSA-N
InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28O12
Molecular Weight 496.4612
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:05:19 GMT 2023
Edited
by admin
on Sat Dec 16 11:05:19 GMT 2023
Record UNII
54TS5J9T0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MYCOPHENOLIC ACID GLUCURONIDE
Common Name English
MYCOPHENOLIC ACID GLUCOSIDURONATE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2E)-5-CARBOXY-3-METHYL-2-PENTEN-1-YL)-1,3-DIHYDRO-6-METHOXY-7-METHYL-3-OXO-4-ISOBENZOFURANYL
Systematic Name English
MYCOPHENOLIC ACID 7-O-GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
6442661
Created by admin on Sat Dec 16 11:05:19 GMT 2023 , Edited by admin on Sat Dec 16 11:05:19 GMT 2023
PRIMARY
FDA UNII
54TS5J9T0K
Created by admin on Sat Dec 16 11:05:19 GMT 2023 , Edited by admin on Sat Dec 16 11:05:19 GMT 2023
PRIMARY
CAS
31528-44-6
Created by admin on Sat Dec 16 11:05:19 GMT 2023 , Edited by admin on Sat Dec 16 11:05:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID401043388
Created by admin on Sat Dec 16 11:05:19 GMT 2023 , Edited by admin on Sat Dec 16 11:05:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE