LSM

dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside

Created:	2011-08-09
Last modified:	2020-06-05

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2 entries where LSM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	81
Chiral Atom Count	10
Bond Count	82
Aromatic Bond Count	0

2D diagram of LSM

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Chemical Component Summary
Name	dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
Synonyms	DODECYL-BETA-D-SELENOMALTOSIDE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecylselanyl-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Formula	C₂₄ H₄₆ O₁₀ Se
Molecular Weight	573.576
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
SMILES	CACTVS	3.370	CCCCCCCCCCCC[Se][CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.2	CCCCCCCCCCCC[Se]C1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCC[Se][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	1.7.2	CCCCCCCCCCCC[Se][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/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
InChIKey	InChI	1.03	MEIBWTYMLPEGMV-ALYNCGSASA-N

Related Resource References

Resource Name	Reference
PubChem	137349710

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.