BioLiP

PDB

BioLiP

PDB CCD ID:

H9A

Number of entries in BioLiP:

Chemical formula:

C5 H13 O3 P

InChI:

InChI=1S/C5H13O3P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3,(H,6,7)

InChIKey:

QSYAHOJZVYVHEY-UHFFFAOYSA-N

SMILES:

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

Name:

propan-2-yl hydrogen (R)-ethylphosphonate

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).