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- ChemComp-GP9: (2R)-2,3-dihydroxypropyl phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: GP9
NameName: (2R)-2,3-dihydroxypropyl phosphate

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Chemical information

Composition
Formula: C3H7O6P / Number of atoms: 17 / Formula weight: 170.058 / Formal charge: -2
Others

2w5r

Type: non-polymer / Three letter code: GP9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2W5R
History
Create componentDec 11, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / Metabolights / PubChem / Rhea / 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 10.04[O-]P([O-])(=O)OCC(O)CO
CACTVS 3.352OC[CH](O)CO[P]([O-])([O-])=O
OpenEye OEToolkits 1.6.1C(C(COP(=O)([O-])[O-])O)O

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SMILES CANONICAL

CACTVS 3.352OC[C@@H](O)CO[P]([O-])([O-])=O
OpenEye OEToolkits 1.6.1C(C(COP(=O)([O-])[O-])O)O

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InChI

InChI 1.03InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m1/s1

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InChIKey

InChI 1.03AWUCVROLDVIAJX-GSVOUGTGSA-L

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-2,3-dihydroxypropyl phosphate
OpenEye OEToolkits 1.6.12,3-dihydroxypropyl phosphate

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PDB entries

Showing all 4 items

PDB-2w5r:
Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS.

PDB-2w5s:
Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS.

PDB-2w5t:
Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS.

PDB-4uor:
Structure of lipoteichoic acid synthase LtaS from Listeria monocytogenes in complex with glycerol phosphate

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