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- ChemComp-CDG: METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: CDG
NameName: methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside

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Chemical information

Composition
Formula: C10H16O8 / Number of atoms: 34 / Formula weight: 264.229 / Formal charge: 0
Others

1gyk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CDG / Model coordinates PDB-ID: 1GYK
History
Create componentApr 25, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / Nikkaji / PubChem / SureChEMBL / 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=C(O)C1(OCC2OC(OC)C(O)C(O)C2O1)C
CACTVS 3.341CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0CC1(OCC2C(O1)C(C(C(O2)OC)O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341CO[C@@H]1O[C@@H]2CO[C@](C)(O[C@@H]2[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1

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InChIKey

InChI 1.03ZDZVLEQWFATHTF-IJWOWSJNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside
OpenEye OEToolkits 1.5.0(2R,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

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PDB entries

Showing all 1 items

PDB-1gyk:
Serum Amyloid P Component co-crystallised with MOBDG at neutral pH

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