BioLiP

PDB

BioLiP

PDB CCD ID:

TUN

Number of entries in BioLiP:

Chemical formula:

C6 H16 N O3 P

InChI:

InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)

InChIKey:

DUNFIZRDIMDMIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CCN(CC)[P@](=O)(O)OCC
CACTVS 3.352	CCO[P](O)(=O)N(CC)CC
ACDLabs 10.04	O=P(O)(OCC)N(CC)CC
OpenEye OEToolkits 1.6.1	CCN(CC)P(=O)(O)OCC

Name:

ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE

DrugBank:

DB08658

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).