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BioLiP Library

PDB CCD ID: A1ABL
Number of entries in BioLiP: 1
Chemical formula: C12 H16 O3
InChI: InChI=1S/C12H16O3/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11,13H,5-9H2
InChIKey: RMRHXMQGVDIPCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OCc1ccccc1OC1CCOCC1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CO)OC2CCOCC2
CACTVS 3.385OCc1ccccc1OC2CCOCC2
Name:{2-[(oxan-4-yl)oxy]phenyl}methanol
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)(download the PDF file).
  • 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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