LMD

tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

Created:	2012-06-06
Last modified:	2021-03-01

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3 entries where LMD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	87
Chiral Atom Count	10
Bond Count	88
Aromatic Bond Count	0

2D diagram of LMD

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Chemical Component Summary
Name	tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
Synonyms	n-Tetradecyl-b-D-maltopyranosid
Systematic Name (OpenEye OEToolkits)	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-tetradecoxy-oxan-3-yl]oxy-oxane-3,4,5-triol
Formula	C₂₆ H₅₀ O₁₁
Molecular Weight	538.669
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(CCCCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
SMILES	CACTVS	3.370	CCCCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCCCO[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	1.7.6	CCCCCCCCCCCCCCO[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/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1
InChIKey	InChI	1.03	UKPROSIGWJBJGA-IWODYCRQSA-N

Related Resource References

Resource Name	Reference
PubChem	9937070

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.