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BioLiP

PDB CCD ID: HE4
Number of entries in BioLiP: 5
Chemical formula: C7 H16 O
InChI: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey: BBMCTIGTTCKYKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCO
Name:HEPTAN-1-OL
ChEMBL: CHEMBL273459
ZINC: ZINC000001666984
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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