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- ChemComp-DX5: D-XYLITOL-5-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: DX5
NameName: D-xylitol-5-phosphate / Synonyms: D-HYLITOL-5-PHOSPHATE

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Chemical information

Composition
Formula: C5H13O8P / Number of atoms: 27 / Formula weight: 232.126 / Formal charge: 0
Others

2fli

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DX5 / Model coordinates PDB-ID: 2FLI
History
Create componentJan 24, 2006
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O=P(O)(O)OCC(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1

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InChIKey

InChI 1.03VJDOAZKNBQCAGE-VPENINKCSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-O-phosphono-D-xylitol
OpenEye OEToolkits 1.5.0[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate

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PDB entries

Showing all 3 items

PDB-2fli:
The crystal structure of D-ribulose 5-phosphate 3-epimerase from Streptococus pyogenes complexed with D-xylitol 5-phosphate

PDB-4kxv:
Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1

PDB-4kxw:
Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2

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