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- ChemComp-5SP: 5-O-phosphono-D-xylulose -

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Basic information

EntryDatabase: PDB chemical components / ID: 5SP
NameName: 5-O-phosphono-D-xylulose / Synonyms: D-xylulose 5-phosphate

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Chemical information

Composition
Formula: C5H11O8P / Number of atoms: 25 / Formula weight: 230.11 / Formal charge: 0
Others

3lqu

Type: saccharide / PDB classification: ATOMS / Three letter code: 5SP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LQU
History
Create componentMar 12, 2010
Modify synonymsOct 28, 2010
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 12.01O=P(OCC(O)C(O)C(=O)CO)(O)O
CACTVS 3.370OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370OCC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1

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InChIKey

InChI 1.03FNZLKVNUWIIPSJ-RFZPGFLSSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-O-phosphono-D-xylulose
OpenEye OEToolkits 1.7.0[(2R,3S)-2,3,5-trihydroxy-4-oxo-pentyl] dihydrogen phosphate

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PDB entries

Showing all 5 items

PDB-3lqu:
Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase complexed with Ribulose-5 phosphate

PDB-3ovr:
Crystal Structure of hRPE and D-Xylulose 5-Phosphate Complex

PDB-5i5e:
Crystal Structure of Transketolase mutants-H66/261C complex with xylulose-5-phoaphate from Pichia Stipitis

PDB-6tj9:
Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate

PDB-7uf2:
RibB from Vibrio cholera bound with D-xylulose-5-phosphate (D-Xy5P) and manganese

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