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- ChemComp-KTE: (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)... -

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Basic information

EntryDatabase: PDB chemical components / ID: KTE
NameName: (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol

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Chemical information

Composition
Formula: C10H20O9 / Number of atoms: 39 / Formula weight: 284.26 / Formal charge: 0
Others

6s2b

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KTE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6S2B
History
Create componentJun 20, 2019
Initial releaseApr 28, 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

CACTVS 3.385OC[CH](O)[CH](O)CO[C]1(CO)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)(CO)OCC(C(CO)O)O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C10H20O9/c11-1-5(14)6(15)3-18-10(4-13)9(17)8(16)7(2-12)19-10/h5-9,11-17H,1-4H2/t5-,6+,7+,8+,9-,10+/m0/s1

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InChIKey

InChI 1.03CPODZCVBMHISBV-NSTDSTDXSA-N

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PDB entries

Showing all 1 items

PDB-6s2b:
Structure of beta-fructofuranosidase from Schwanniomyces occidentalis complexed with fructosyl-erythritol

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