BioLiP

PDB

BioLiP

PDB CCD ID:

UCJ

Number of entries in BioLiP:

Chemical formula:

C4 H11 O3 P

InChI:

InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)

InChIKey:

GHZKGHQGPXBWSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(OC(C)C)(O)C
CACTVS 3.385	CC(C)O[P](C)(O)=O
OpenEye OEToolkits 2.0.7	CC(C)OP(=O)(C)O

Name:

propan-2-yl hydrogen (S)-methylphosphonate

ZINC:

ZINC000001565221

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).