Chemical Components in the PDB

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L6T : Summary

Code

L6T

One-letter code

X

Molecule name

alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
OpenEye OEToolkits 2.0.6 (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(dodecoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula

C24 H46 O11

Formal charge

0

Molecular weight

510.615 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(OC(C(C(C1O)O)O)COCCCCCCCCCCCC)OC2C(C(C(C(CO)O2)O)O)O
SMILES CACTVS 3.385 CCCCCCCCCCCCOC[CH]1O[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCOCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCOC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O

IUPAC InChI

InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-14-16-18(27)20(29)22(31)24(34-16)35-23-21(30)19(28)17(26)15(13-25)33-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1

IUPAC InChI key

HIJNTEBBIQHGEK-FXPCSOOLSA-N
L6T

wwPDB Information

Atom count

81 (35 without Hydrogen)

Polymer type

Saccharide

Type description

saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-23

Last modified at

2018-12-21

Status

Released

Obsoleted

Not Assigned