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- ChemComp-GCU: D-GLUCURONIC ACID -

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EntryDatabase: PDB chemical components / ID: GCU

Yorodumi
NameName: D-glucuronic acid / Type: D-SACCHARIDE (ATOMS)
CompositionFormula: C6H10O7 / Number of atoms: 23 / Formula weight: 194.139 / Formal charge: 0
DateCreate component: Jul 8, 1999 / Modify descriptor: Jun 4, 2011
External linksTOXNET,NIH / PubChem

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SMILES

ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1

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InChIKey

InChI 1.03AEMOLEFTQBMNLQ-WAXACMCWSA-N

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SYSTEMATIC NAME

ACDLabs 10.04alpha-D-glucopyranuronic acid
OpenEye OEToolkits 1.5.0(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

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