BioLiP

PDB

BioLiP

PDB CCD ID:

A1LZU

Number of entries in BioLiP:

Chemical formula:

C13 H21 O5 P

InChI:

InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)

InChIKey:

QVNNONOFASOXQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)c1cccc(c1OCOP(=O)(O)O)C(C)C
CACTVS 3.385	CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O

Name:

[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate

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).