BioLiP

PDB

BioLiP

PDB CCD ID:

PDI

Number of entries in BioLiP:

Chemical formula:

C3 H9 O5 P

InChI:

InChI=1S/C3H9O5P/c4-2-1-3-8-9(5,6)7/h4H,1-3H2,(H2,5,6,7)

InChIKey:

HYCSHFLKPSMPGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CO)COP(=O)(O)O
ACDLabs 10.04	O=P(O)(O)OCCCO
CACTVS 3.341	OCCCO[P](O)(O)=O

Name:

PHOSPHORIC ACID MONO-(3-HYDROXY-PROPYL) ESTER

ZINC:

ZINC000005113578

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).