Chemical Components in the PDB

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LMU : Summary

Code

LMU

One-letter code

X

Molecule name

DODECYL-ALPHA-D-MALTOSIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 dodecyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
OpenEye OEToolkits 1.5.0 (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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 10.04 O(CCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
SMILES CACTVS 3.341 CCCCCCCCCCCCO[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 CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCO[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 CCCCCCCCCCCCO[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

IUPAC InChI

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

IUPAC InChI key

NLEBIOOXCVAHBD-YHBSTRCHSA-N
LMU

wwPDB Information

Atom count

81 (35 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-05-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned