BioLiP

PDB

BioLiP

PDB CCD ID:

YRQ

Number of entries in BioLiP:

Chemical formula:

C3 H9 O4 P

InChI:

InChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1

InChIKey:

AAZGNRIYIVFCOY-VKHMYHEASA-N

SMILES:

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

Name:

[(2S)-1-hydroxypropan-2-yl]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).