BioLiP

PDB

BioLiP

PDB CCD ID:

57H

Number of entries in BioLiP:

Chemical formula:

C3 H7 O3 P

InChI:

InChI=1S/C3H7O3P/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)

InChIKey:

RZKYDQNMAUSEDZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C=CCP(=O)(O)O
CACTVS 3.385	O[P](O)(=O)CC=C
ACDLabs 12.01	P(O)(O)(=O)C\C=C

Name:

prop-2-en-1-ylphosphonic acid

ZINC:

ZINC000025695689

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).