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BioLiP

PDB CCD ID: MW0
Number of entries in BioLiP: 2
Chemical formula: C6 H8 O2
InChI: InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3
InChIKey: VOZFDEJGHQWZHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1oc(CO)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(o1)CO
ACDLabs 12.01Cc1ccc(CO)o1
Name:(5-methylfuran-2-yl)methanol
ZINC: ZINC000000152340
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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