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- BIRD-PRD_900090: sucralose -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900090
StatusStatus: REF ONLY
Namesucralose

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BIRD information

TypeOligosaccharide / Substrate analog
Details
  • oligosaccharide with reducing-end-to-reducing-end glycosidic bond
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C12H19Cl3O8 / Formula weight: 397.633
OthersType: saccharide
History
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 12.01ClC2C(OC(OC1(OC(C(O)C1O)CCl)CCl)C(O)C2O)CO
CACTVS 3.385OC[CH]1O[CH](O[C]2(CCl)O[CH](CCl)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1Cl
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl
OpenEye OEToolkits 1.7.6C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O

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InChI

InChI 1.03InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-, 8+,9-,10+,11-,12+/m1/s1

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InChIKey

InChI 1.03BAQAVOSOZGMPRM-QBMZZYIRSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
OpenEye OEToolkits 1.7.6(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-chloranyl-6-(hydroxymethyl)o xane-3,4-diol

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PDB entries

Showing all 6 items

PDB-4rzt:
Lac repressor engineered to bind sucralose, sucralose-bound tetramer

PDB-6cjv:
Carbonic anhydrase IX-mimic in complex with sucralose

PDB-9nov:
Human sweet taste receptor (TAS1R2 + TAS1R3) VFT domains bound to sucralose

PDB-9opz:
Structure of the sweet receptor bound to sucralose in the compact state, extracellular domain

PDB-9utb:
The full-length human sweet taste receptor TAS1R2 and TAS1R3 in the sucralose-bound state

PDB-9utc:
The VFT domains of human sweet taste receptor TAS1R2 and TAS1R3 in the sucralose-bound state

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