GS1

1-thio-beta-D-glucopyranose

Created:	2001-11-26
Last modified:	2020-07-17

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2 entries where GS1 is found as a standalone ligand7 entries where GS1 is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	5
Bond Count	24
Aromatic Bond Count	0

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Chemical Component Summary
Name	1-thio-beta-D-glucopyranose
Synonyms	1-thio-beta-D-glucose; 1-thio-D-glucose; 1-thio-glucose
Systematic Name (OpenEye OEToolkits)	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
Formula	C₆ H₁₂ O₅ S
Molecular Weight	196.221
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(OC(S)C1O)CO
SMILES	CACTVS	3.341	OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)S)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey	InChI	1.03	JUSMHIGDXPKSID-DVKNGEFBSA-N

Drug Info: DrugBank

DrugBank ID	DB03859
Name	1-thio-beta-D-glucopyranose
Groups	experimental
Synonyms	beta-D-Thioglucose 1-thio-beta-D-glucopyranose 1-thio-β-D-glucose β-D-Glcp-SH β-D-Glc-SH 1-thio-b-D-glucose
Categories	Carbohydrates Hexoses Monosaccharides
CAS number	7534-35-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Endoglucanase G	MLKTKRKLTKAIGVALSISILSSLVSFIPQTNTYAAGTYNYGEALQKSIM...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682