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- ChemComp-DXP: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: DXP
NameName: 1-deoxy-D-xylulose-5-phosphate

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Chemical information

Composition
Formula: C5H11O7P / Number of atoms: 24 / Formula weight: 214.11 / Formal charge: 0
Others

1ixn

Type: NON-POLYMER / PDB classification: ATOMS / Three letter code: DXP / Model coordinates PDB-ID: 1IXN
History
Create componentJul 3, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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)C
CACTVS 3.341CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=O)C(C(COP(=O)(O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1

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InChIKey

InChI 1.03AJPADPZSRRUGHI-RFZPGFLSSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-deoxy-5-O-phosphono-D-xylulose
OpenEye OEToolkits 1.5.0[(2R,3S)-2,3-dihydroxy-4-oxo-pentyl] dihydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1ixn:
Enzyme-Substrate Complex of Pyridoxine 5'-Phosphate Synthase

PDB-1m5w:
1.96 A Crystal Structure of Pyridoxine 5'-Phosphate Synthase in Complex with 1-deoxy-D-xylulose phosphate

PDB-1q0q:
Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate

PDB-3gk0:
Crystal structure of pyridoxal phosphate biosynthetic protein from Burkholderia pseudomallei

PDB-3ll3:
The crystal structure of ligand bound xylulose kinase from Lactobacillus acidophilus

PDB-5z9y:
Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP

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