SEQ2FUN

BioLiP

PDB CCD ID: DPF
Number of entries in BioLiP: 23
Chemical formula: C4 H11 O4 P
InChI: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKey: UCQFCFPECQILOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOP(=O)(O)OCC
CACTVS 3.341CCO[P](O)(=O)OCC
ACDLabs 10.04O=P(O)(OCC)OCC
Name:DIETHYL HYDROGEN PHOSPHATE
ChEMBL: CHEMBL1232324
ZINC: ZINC000001530488
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).