BioLiP

PDB

BioLiP

PDB CCD ID:

VXA

Number of entries in BioLiP:

Chemical formula:

C H4 O2 P

InChI:

InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1

InChIKey:

BCDIWLCKOCHCIH-UHFFFAOYSA-M

SMILES:

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

Name:

METHYLPHOSPHONIC ACID ESTER GROUP

DrugBank:

DB02825

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).