BioLiP

PDB

BioLiP

PDB CCD ID:

BR5

Number of entries in BioLiP:

Chemical formula:

C4 H10 O3 P

InChI:

InChI=1S/C4H11O3P/c1-2-7-3-4-8(5)6/h8H,2-4H2,1H3,(H,5,6)/p-1

InChIKey:

XCMXNBBWZYFHSD-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCOCCP(=O)[O-]
ACDLabs 10.04	[O-]P(=O)CCOCC
OpenEye OEToolkits 1.5.0	CCOCC[P@H](=O)[O-]
CACTVS 3.341	CCOCC[PH]([O-])=O

Name:

2-ETHOXYETHYLPHOSPHINATE

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).