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- ChemComp-2DB: (S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 2DB
NameName: (S)-(2,3-dihydroxypropoxy)trihydroxyborate

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Chemical information

Composition
Formula: C3H10BO6 / Number of atoms: 20 / Formula weight: 152.919 / Formal charge: -1
Others

2id8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2DB / Model coordinates PDB-ID: 2ID8
History
Create componentSep 19, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / ZINC / 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[B-](O)(O)OCC(O)CO
CACTVS 3.341OC[CH](O)CO[B-](O)(O)O
OpenEye OEToolkits 1.5.0[B-](O)(O)(O)OCC(CO)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H](O)CO[B-](O)(O)O
OpenEye OEToolkits 1.5.0[B-](O)(O)(O)OC[C@H](CO)O

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InChI

InChI 1.03InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1

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InChIKey

InChI 1.03KLKDDPLTQSQDLA-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 10.04trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-)
OpenEye OEToolkits 1.5.0[(2S)-2,3-dihydroxypropoxy]-trihydroxy-boron

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PDB entries

Showing all 1 items

PDB-2id8:
Crystal structure of Proteinase K

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