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- ChemComp-2UF: L-gulonate -

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Basic information

EntryDatabase: PDB chemical components / ID: 2UF
NameName: L-gulonate

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Chemical information

Composition
Formula: C6H12O7 / Number of atoms: 25 / Formula weight: 196.155 / Formal charge: 0
Others

4pbq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2UF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4PBQ
History
Create componentMay 7, 2014
Initial releaseMay 14, 2014
Modify descriptorSep 5, 2014
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)C(O)CO
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.9.2C(C(C(C(C(C(=O)O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
OpenEye OEToolkits 1.9.2C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1

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InChIKey

InChI 1.03RGHNJXZEOKUKBD-QTBDOELSSA-N

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SYSTEMATIC NAME

ACDLabs 12.01L-gulonic acid
OpenEye OEToolkits 1.9.2(2S,3S,4R,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid

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PDB entries

Showing all 1 items

PDB-4pbq:
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE

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