ChemComp-6UZ: omega-undecylenyl-beta-D-maltopyranoside

Basic information

• Entry: Database: PDB chemical components / ID: 6UZ
• Name: Name: omega-undecylenyl-beta-D-maltopyranoside; Synonyms: (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

Chemical information

Composition

Formula: C₂₃H₄₂O₁₁ / Number of atoms: 76 / Formula weight: 494.573 / Formal charge: 0

Others

5klu

Type: non-polymer / PDB classification: ATOMS / Three letter code: 6UZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KLU

History

Create component	Jun 29, 2016
Initial release	Mar 22, 2017
Modify synonyms	Jun 5, 2020

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

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
• OpenEye OEToolkits 2.0.5: C=CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O

SMILES CANONICAL

• 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
• 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

InChI

• InChI 1.03: 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

InChIKey

• InChI 1.03: LFZORGOUSJSBOB-ZNGNCRBCSA-N

PDB entries

Showing all 3 items

PDB-5klu:
Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with omega-undecylenyl-beta-D-maltopyranoside

PDB-9fyq:
Cryo-EM structure of native SV2A in complex with TeNT-Hc, gangliosides and Pro-Macrobody 5

PDB-9fyr:
Cryo-EM structure of native SV2A in complex with TeNT-Hc, Pro-Macrobody 5 and Levetiracetam