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- ChemComp-LMO: dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside -

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Basic information

EntryDatabase: PDB chemical components / ID: LMO
NameName: dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
Synonyms: DDMB; dodecyl melibioside

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BIRD information

TypePolysaccharide / Protein binding
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C24H46O11 / Number of atoms: 81 / Formula weight: 510.615 / Formal charge: 0
Others

7l16

XKJ

GLA

Type: saccharide / PDB classification: ATOMS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7L16 / Subcomponent: XKJ, GLA
History
Create componentDec 21, 2020
Initial releaseAug 4, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C(OC1C(C(C(C(CO)O1)O)O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O
CACTVS 3.385CCCCCCCCCCCCO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(30)20(29)18(27)16(35-23)14-33-24-22(31)19(28)17(26)15(13-25)34-24/h15-31H,2-14H2,1H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1

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InChIKey

InChI 1.03HBVAWIPMNSJELA-RWNQQKCBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
OpenEye OEToolkits 2.0.7(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-dodecoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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PDB entries

Showing all 2 items

PDB-7l16:
Crystal structure of sugar-bound melibiose permease MelB

PDB-8fq9:
Crystal structure of a ligand-bound cation-site mutant D55C of a melibiose transporter

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