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- ChemComp-MW0: (5-methylfuran-2-yl)methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: MW0
NameName: (5-methylfuran-2-yl)methanol

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Chemical information

Composition
Formula: C6H8O2 / Number of atoms: 16 / Formula weight: 112.127 / Formal charge: 0
Others

7ud8

Type: non-polymer / PDB classification: HETAIN / Three letter code: MW0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7UD8
History
Create componentMar 21, 2022
Initial releaseMar 30, 2022
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 12.01Cc1ccc(CO)o1
CACTVS 3.385Cc1oc(CO)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(o1)CO

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SMILES CANONICAL

CACTVS 3.385Cc1oc(CO)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(o1)CO

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InChI

InChI 1.03InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3

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InChIKey

InChI 1.03VOZFDEJGHQWZHU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5-methylfuran-2-yl)methanol
OpenEye OEToolkits 2.0.7(5-methylfuran-2-yl)methanol

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PDB entries

Showing all 1 items

PDB-7ud8:
Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom

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