SEQ2FUN

BioLiP

PDB CCD ID: P8K
Number of entries in BioLiP: 8
Chemical formula: C14 H31 O3 P
InChI: InChI=1S/C14H31O3P/c1-3-5-7-9-10-11-13-17-18(15,16)14-12-8-6-4-2/h3-14H2,1-2H3,(H,15,16)
InChIKey: ITXAFDXPCLYZIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCO[P](O)(=O)CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCOP(=O)(CCCCCC)O
Name:hexyl(octoxy)phosphinic acid
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).