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6UZ : Summary

Code

6UZ

One-letter code

X

Molecule name

omega-undecylenyl-beta-D-maltopyranoside

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol

Formula

C23 H42 O11

Formal charge

0

Molecular weight

494.573 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)O[CH]2CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.5 C=CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCCCCC=C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.5 C=CCCCCCCCCCO[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/C23H42O11/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/h2,14-30H,1,3-13H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1

IUPAC InChI key

LFZORGOUSJSBOB-ZNGNCRBCSA-N
6UZ

wwPDB Information

Atom count

76 (34 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-29

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned