BioLiP

PDB

BioLiP

PDB CCD ID:

MIP

Number of entries in BioLiP:

Chemical formula:

C3 H9 O4 P

InChI:

InChI=1/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)/f/h4-5H

InChIKey:

QPPQHRDVPBTVEV-NUMVZRSTCF

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)OP(=O)(O)O
CACTVS 3.341	CC(C)O[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OC(C)C

Name:

MONOISOPROPYL ESTER 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).