BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C3 H9 O3 P

InChI:

InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)

InChIKey:

UFZOPKFMKMAWLU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCO[P@](=O)(C)O
CACTVS 3.341	CCO[P](C)(O)=O
CACTVS 3.341	CCO[P@](C)(O)=O
OpenEye OEToolkits 1.5.0	CCOP(=O)(C)O
ACDLabs 10.04	O=P(O)(OCC)C

Name:

O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP

ZINC:

ZINC000002557021

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).