BioLiP

PDB

BioLiP

PDB CCD ID:

E9E

Number of entries in BioLiP:

Chemical formula:

C4 H11 O3 P

InChI:

InChI=1S/C4H11O3P/c1-4-7-8(3,5)6-2/h4H2,1-3H3/t8-/m0/s1

InChIKey:

YDVMILOIKRSPEO-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCOP(=O)(C)OC
OpenEye OEToolkits 2.0.6	CCO[P@](=O)(C)OC
CACTVS 3.385	CCO[P@@](C)(=O)OC
CACTVS 3.385	CCO[P](C)(=O)OC

Name:

1-[methoxy(methyl)phosphoryl]oxyethane

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).