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- ChemComp-03W: (2R)-propane-1,1,2,3-tetrol -

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Basic information

EntryDatabase: PDB chemical components / ID: 03W
NameName: (2R)-propane-1,1,2,3-tetrol

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Chemical information

Composition
Formula: C3H8O4 / Number of atoms: 15 / Formula weight: 108.093 / Formal charge: 0
Others

3u3h

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 03W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3U3H
History
Create componentOct 11, 2011
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01OCC(O)C(O)O
CACTVS 3.370OC[CH](O)C(O)O
OpenEye OEToolkits 1.7.2C(C(C(O)O)O)O

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SMILES CANONICAL

CACTVS 3.370OC[C@@H](O)C(O)O
OpenEye OEToolkits 1.7.2C([C@H](C(O)O)O)O

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InChI

InChI 1.03InChI=1S/C3H8O4/c4-1-2(5)3(6)7/h2-7H,1H2/t2-/m1/s1

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InChIKey

InChI 1.03MQVRLONNONYDJP-UWTATZPHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-propane-1,1,2,3-tetrol
OpenEye OEToolkits 1.7.2(2R)-propane-1,1,2,3-tetrol

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PDB entries

Showing all 1 items

PDB-3u3h:
X-Ray Crystallographic Analysis of D-Xylose Isomerase-Catalyzed Isomerization of (R)-Glyceraldehyde

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