BioLiP

PDB

BioLiP

PDB CCD ID:

POA

Number of entries in BioLiP:

Chemical formula:

C2 H5 O4 P

InChI:

InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)

InChIKey:

YEMKIGUKNDOZEG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[P](O)(=O)CC=O
OpenEye OEToolkits 1.5.0	C(C=O)P(=O)(O)O
ACDLabs 10.04	O=CCP(=O)(O)O

Name:

PHOSPHONOACETALDEHYDE

DrugBank:

DB03174

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).