SEQ2FUN

BioLiP

PDB CCD ID: HEX
Number of entries in BioLiP: 9
Chemical formula: C6 H14
InChI: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCC
Name:HEXANE
ChEMBL: CHEMBL15939
ZINC: ZINC000001532209
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).