SEQ2FUN

BioLiP

PDB CCD ID: HE2
Number of entries in BioLiP: 4
Chemical formula: C6 H14 O
InChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCO
ACDLabs 10.04OCCCCCC
Name:HEXAN-1-OL
ChEMBL: CHEMBL14085
ZINC: ZINC000001699882
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).