BioLiP

PDB

BioLiP

PDB CCD ID:

S9L

Number of entries in BioLiP:

Chemical formula:

C6 H15 O7 P

InChI:

InChI=1S/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10)

InChIKey:

CJHGCXGTUHBMMH-UHFFFAOYSA-N

SMILES:

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

Name:

2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL 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).