BioLiP

PDB

BioLiP

PDB CCD ID:

A1L0T

Number of entries in BioLiP:

Chemical formula:

C4 H11 O3 P

InChI:

InChI=1S/C4H11O3P/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)

InChIKey:

HAEFDDOAYBQRGK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)CP(=O)(O)O
CACTVS 3.385	CC(C)C[P](O)(O)=O

Name:

2-methylpropylphosphonic acid

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).