BioLiP

PDB

BioLiP

PDB CCD ID:

YS8

Number of entries in BioLiP:

Chemical formula:

C4 H11 O4 P

InChI:

InChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1

InChIKey:

NCSVFERDDBHVCB-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)[CH](O)[P](O)(O)=O
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CC(C)C(O)P(=O)(O)O
OpenEye OEToolkits 2.0.7	CC(C)[C@H](O)P(=O)(O)O
CACTVS 3.385	CC(C)[C@H](O)[P](O)(O)=O

Name:

[(1R)-1-hydroxy-2-methylpropyl]phosphonic 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).