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BioLiP Library

PDB CCD ID: DE1
Number of entries in BioLiP: 4
Chemical formula: C10 H22 O
InChI: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCO
Name:DECAN-1-OL
ChEMBL: CHEMBL25363
ZINC: ZINC000001529247
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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