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BioLiP

PDB CCD ID: PE9
Number of entries in BioLiP: 2
Chemical formula: C5 H12 O
InChI: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCO
Name:PENTAN-1-OL
ChEMBL: CHEMBL14568
ZINC: ZINC000001687154
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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