SOR

sorbitol

Created:	1999-07-08
Last modified:	2020-07-17

Find Related PDB Entry
22 entries where SOR is found as a standalone ligand3 entries where SOR is found in a branched oligosaccharide

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	4
Bond Count	25
Aromatic Bond Count	0

2D diagram of SOR

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	sorbitol
Synonyms	D-sorbitol; D-glucitol
Systematic Name (OpenEye OEToolkits)	(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
Formula	C₆ H₁₄ O₆
Molecular Weight	182.172
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(C(O)CO)C(O)C(O)CO
SMILES	CACTVS	3.341	OC[CH](O)[CH](O)[CH](O)[CH](O)CO
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(CO)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey	InChI	1.03	FBPFZTCFMRRESA-JGWLITMVSA-N

Drug Info: DrugBank

DrugBank ID	DB01638
Name	Sorbitol
Groups	approved
Description	A polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures.
Synonyms	Sorbitol D-glucitol G-ol D-Sorbitol (−)-sorbitol D-(−)-sorbitol L-Gulitol D-Sorbit
Brand Names	Microlax Enema GeriCare Sorbitol Solution Salivart Aer Sorbitol Rougier Pws 5gm Sorbitol-Mannitol Cream Fluad Tetra Sorbitol Mannitol Irrigation Sorbitol Microlax Micro Enema Turmeric Kojic Acid Soad CHI. JOA (Anti-inflammatory effect, antibacterial effect, stomatitis improvement, plaque removal) Microlax Micro-enema Char-flo With Sorbitol - Sus Trofresh Cystosol W 3% Hexitols Cleanse Gut And Colon
Indication	Used as a non-stimulant laxative via an oral suspension or enema.
Categories	Alcohols Alimentary Tract and Metabolism Blood and Blood Forming Organs Blood Substitutes and Perfusion Solutions Carbohydrates Compounds used in a research, industrial, or household setting Diagnostic Agents Diet, Food, and Nutrition Drugs for Constipation Drugs that are Mainly Renally Excreted Enemas Flavoring Agents Food Food Additives Food Ingredients Gastrointestinal Agents Indicators and Reagents Irrigating Solutions Laboratory Chemicals Laxatives Osmotic Laxatives Physiological Phenomena Sugar Alcohols Sweetening Agents Tests for Bile Duct Patency
ATC-Code	B05CX02 V04CC01 A06AD18 A06AG07
CAS number	50-70-4

Related Resource References

Resource Name	Reference
PubChem	5780
ChEMBL	CHEMBL1682
ChEBI	CHEBI:17924
CCDC/CSD	HIPKAS, GLUCIT04, SORBPY21, GLUCIT03, ALITOL01, SORBPY20, GLUCIT02, GLUCIT01
COD	1101132, 2300046

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.