BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C H5 O3 P

InChI:

InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)

InChIKey:

YACKEPLHDIMKIO-UHFFFAOYSA-N

SMILES:

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

Name:

METHYLPHOSPHONIC ACID ESTER GROUP

ChEMBL:

CHEMBL122938

ZINC:

ZINC000084544184

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).