BioLiP

PDB

BioLiP

PDB CCD ID:

PE6

Number of entries in BioLiP:

Chemical formula:

C12 H27 O10 P

InChI:

InChI=1S/C12H27O10P/c13-1-2-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-23(14,15)16/h13H,1-12H2,(H2,14,15,16)

InChIKey:

PTMCGHPIYOSATH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OCCOCCOCCOCCOCCOCCO[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0	C(COCCOCCOCCOCCOCCOP(=O)(O)O)O

Name:

PHOSPHORYL-HEXAETHYLENE GLYCOL

ZINC:

ZINC000005828801

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).