BioLiP

PDB

BioLiP

PDB CCD ID:

P1P

Number of entries in BioLiP:

Chemical formula:

C3 H6 O4 P

InChI:

InChI=1S/C3H6O4P/c4-2-1-3-7-8(5)6/h1-3H2/q-1

InChIKey:

GVQSIYRMPBGDCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	[O-][PH2+](=O)OCCC[O-]
CACTVS 3.341	[O-]CCCO[P+]([O-])=O
OpenEye OEToolkits 1.5.0	C(C[O-])CO[P+](=O)[O-]

Name:

3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1-OLATE;
PROPYL-1-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).