SEQ2FUN

BioLiP

PDB CCD ID: DEP
Number of entries in BioLiP: 2
Chemical formula: C4 H11 O3 P
InChI: InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3
InChIKey: MJUJXFBTEFXVKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOP(=O)OCC
ACDLabs 10.04O=P(OCC)OCC
CACTVS 3.341CCO[PH](=O)OCC
Name:DIETHYL PHOSPHONATE
DrugBank: DB02811
ZINC: ZINC000150339148
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).