SEQ2FUN

BioLiP

PDB CCD ID: IHD
Number of entries in BioLiP: 1
Chemical formula: C16 H33 I
InChI: InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey: KMWHQYDMBYABKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04ICCCCCCCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCCCCCI
Name:1-IODOHEXADECANE
ChEMBL: CHEMBL1233571
ZINC: ZINC000006845604
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).