SEQ2FUN

BioLiP

PDB CCD ID: 2HE
Number of entries in BioLiP: 24
Chemical formula: C2 H7 O4 P
InChI: InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)
InChIKey: SEHJHHHUIGULEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCC[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)CCO
Name:(2-hydroxyethyl)phosphonic acid
ChEMBL: CHEMBL1229938
ZINC: ZINC000004097146
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).