UMQ

UNDECYL-MALTOSIDE

Created:	2002-09-09
Last modified:	2021-03-01

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50 entries where UMQ is found as a standalone ligand1 entries where UMQ is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	78
Chiral Atom Count	10
Bond Count	79
Aromatic Bond Count	0

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Chemical Component Summary
Name	UNDECYL-MALTOSIDE
Synonyms	UNDECYL-BETA-D-MALTOPYRANOSIDE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecoxy-oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Formula	C₂₃ H₄₄ O₁₁
Molecular Weight	496.589
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
SMILES	CACTVS	3.341	CCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
InChIKey	InChI	1.03	UYEMNFYVTFDKRG-ZNGNCRBCSA-N

Drug Info: DrugBank

DrugBank ID	DB02686
Name	Undecyl-Beta-D-Maltopyranoside
Groups	experimental
Synonyms	Undecyl-Beta-D-Maltopyranoside

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
V-type sodium ATPase subunit K	MMDYLITQNGGMVFAVLAMATATIFSGIGSAKGVGMTGEAAAALTTSQPE...	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