BioLiP

PDB

BioLiP

PDB CCD ID:

E8W

Number of entries in BioLiP:

Chemical formula:

C5 H13 O3 P

InChI:

InChI=1S/C5H13O3P/c1-5(2)8-9(4,6)7-3/h5H,1-4H3/t9-/m0/s1

InChIKey:

GDBDOLDINYFAKS-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)O[P@](=O)(C)OC
CACTVS 3.385	CO[P](C)(=O)OC(C)C
OpenEye OEToolkits 2.0.6	CC(C)OP(=O)(C)OC
CACTVS 3.385	CO[P@](C)(=O)OC(C)C

Name:

2-[methoxy(methyl)phosphoryl]oxypropane

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).