SEQ2FUN

BioLiP

PDB CCD ID: ATJ
Number of entries in BioLiP: 2
Chemical formula: C2 H7 O3 P
InChI: InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)
InChIKey: VUERQRKTYBIULR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCO[P@@H](O)=O
OpenEye OEToolkits 1.5.0CCOP(=O)O
ACDLabs 10.04O=P(O)OCC
OpenEye OEToolkits 1.5.0CCO[P@H](=O)O
CACTVS 3.341CCO[PH](O)=O
Name:ETHYL HYDROGEN PHOSPHONATE
ChEMBL: CHEMBL1231082
ZINC: ZINC000004529330
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).