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- ChemComp-D8T: D-arabinonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: D8T
NameName: D-arabinonic acid

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Chemical information

Composition
Formula: C5H10O6 / Number of atoms: 21 / Formula weight: 166.129 / Formal charge: 0
Others

3sbf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D8T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SBF
History
Create componentJun 7, 2011
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 12.01O=C(O)C(O)C(O)C(O)CO
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(C(C(=O)O)O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1

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InChIKey

InChI 1.03QXKAIJAYHKCRRA-JJYYJPOSSA-N

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SYSTEMATIC NAME

ACDLabs 12.01D-arabinonic acid
OpenEye OEToolkits 1.7.2(2S,3R,4R)-2,3,4,5-tetrakis(oxidanyl)pentanoic acid

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PDB entries

Showing all 1 items

PDB-3sbf:
Crystal structure of the mutant P311A of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and D-Arabinonate

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