SOG

octyl 1-thio-beta-D-glucopyranoside

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is present as a standalone ligand in 33 entries

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Chemical Component Summary
Name	octyl 1-thio-beta-D-glucopyranoside
Synonyms	2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL; 1-S-OCTYL-BETA-D-THIOGLUCOSIDE; octyl 1-thio-beta-D-glucoside; octyl 1-thio-D-glucoside; octyl 1-thio-glucoside
Identifiers	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyl-oxane-3,4,5-triol
Formula	C₁₄ H₂₈ O₅ S
Molecular Weight	308.434
Type	D-SACCHARIDE
Isomeric SMILES	CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey	CGVLVOOFCGWBCS-RGDJUOJXSA-N

Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	5
Bond Count	48
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB08558 ?
Name	2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Groups	experimental
Synonyms	2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL

Drug Targets

Name	Target Sequence	Pharmacological Action
Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase	MSKIAKTAIISPKAEINKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHT...	unknown
Diacylglycerol acyltransferase/mycolyltransferase Ag85C	MTFFEQVRRLRSAATTLPRRLAIAAMGAVLVYGLVGTFGGPATAGAFSRP...	unknown
Beta-1 adrenergic receptor	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESP...	unknown
Lactase-phlorizin hydrolase	MELSWHVVFIALLSFSCWGSDWESDRNFISTAGPLTNDLLHNLSGLLGDQ...	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