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- ChemComp-CU7: (2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: CU7
NameName: (2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate

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Chemical information

Composition
Formula: C6H15O8P / Number of atoms: 30 / Formula weight: 246.152 / Formal charge: 0
Others

6b63

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CU7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6B63
History
Create componentOct 2, 2017
Initial releaseOct 3, 2018
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 12.01C(C(COP(OCC(CO)O)(O)=O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(=O)OC[CH](O)CO
OpenEye OEToolkits 2.0.6C(C(COP(=O)(O)OCC(CO)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H](O)CO[P](O)(=O)OC[C@H](O)CO
OpenEye OEToolkits 2.0.6C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O

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InChI

InChI 1.03InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+

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InChIKey

InChI 1.03LLCSXHMJULHSJN-OLQVQODUSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate
OpenEye OEToolkits 2.0.6[(2~{R})-2,3-bis(oxidanyl)propyl] [(2~{S})-2,3-bis(oxidanyl)propyl] hydrogen phosphate

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PDB entries

Showing all 1 items

PDB-6b63:
IMPase (AF2372) with 25 mM Asp

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