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- ChemComp-3MF: 3-O-METHYLFRUCTOSE IN LINEAR FORM -

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Basic information

EntryDatabase: PDB chemical components / ID: 3MF
NameName: 3-O-methylfructose in linear form

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Chemical information

Composition
Formula: C7H14O6 / Number of atoms: 27 / Formula weight: 194.182 / Formal charge: 0
Others

1xyc

Type: SACCHARIDE / PDB classification: ATOMS / Three letter code: 3MF / Model coordinates PDB-ID: 1XYC
History
Create componentJul 8, 1999
Modify descriptorJun 4, 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 10.04O=C(C(OC)C(O)C(O)CO)CO
CACTVS 3.341CO[CH]([CH](O)[CH](O)CO)C(=O)CO
OpenEye OEToolkits 1.5.0COC(C(C(CO)O)O)C(=O)CO

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7-/m1/s1

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InChIKey

InChI 1.03OFSVCCCZZQKHKQ-QPPQHZFASA-N

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SYSTEMATIC NAME

ACDLabs 10.043-O-methyl-D-fructose
OpenEye OEToolkits 1.5.0(3S,4R,5R)-1,4,5,6-tetrahydroxy-3-methoxy-hexan-2-one

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PDB entries

Showing all 1 items

PDB-1xyc:
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS

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