SOG

octyl 1-thio-beta-D-glucopyranoside

Created:	2003-01-21
Last modified:	2020-07-17

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33 entries where SOG is found as a standalone ligand

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

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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
Systematic Name (OpenEye OEToolkits)	(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

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
SMILES	CACTVS	3.341	CCCCCCCCS[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.03	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	InChI	1.03	CGVLVOOFCGWBCS-RGDJUOJXSA-N

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