e-Drug3D

600

GLUCONOLACTONE

INN
GLUCONOLACTONE

cas 90-80-2

CLASS

FOOD ADDITIVE E575 USED AS A SEQUESTRANT
IN VITRO GLYCATING AGENT

ROUTE (list)

IRRIGATION

ATC code

PK parameters

Target

PDB
2E40 (CRYSTAL STRUCTURE OF INTRACELLULAR FAMILY 1 BETA-GLUCOSIDASE BGL1A FROM THE BASIDIOMYCETE PHANEROCHAETE CHRYSOSPORIUM IN COMPLEX WITH GLUCONOLACTONE)

Ligand code = LGC (link to the list of PDB complexes)

Download experimental 3D coordinates of LGC with added hydrogens

DrugCentral

Lysosomal acid glucosylceramidase UNIPROT P04062 GBA1

Download SDF file

(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one

Formula:
C6H10O6

Calculated chemical properties:

MW 178.14
NB_atoms 12
XLogP -3.01
PSA 110.15
NB_HD 4
NB_HA 6
fsp3 0.83
Lipinski(0=no;1=yes) 1

FDA
NDA 019481 (label) INN (CITRIC ACID ; GLUCONOLACTONE ; MAGNESIUM CARBONATE) RENACIDIN (UNITED GUARDIAN) APPROVAL= AP YEAR= 1990