BioLiP

PDB

BioLiP

PDB CCD ID:

7VD

Number of entries in BioLiP:

Chemical formula:

C3 H7 O4 P

InChI:

InChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)

InChIKey:

DVSHXLWNRCEDCW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)C[P](O)(O)=O
OpenEye OEToolkits 2.0.6	CC(=O)CP(=O)(O)O
ACDLabs 12.01	P(O)(CC(C)=O)(O)=O

Name:

(2-oxopropyl)phosphonic acid

ZINC:

ZINC000001720559

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).