BioLiP

PDB

BioLiP

PDB CCD ID:

48X

Number of entries in BioLiP:

Chemical formula:

C3 H7 O6 P

InChI:

InChI=1S/C3H7O6P/c4-3(5)1-2-9-10(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)

InChIKey:

QMMAAPSPIPKBBV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCO[P](O)(O)=O
OpenEye OEToolkits 1.9.2	C(COP(=O)(O)O)C(=O)O
ACDLabs 12.01	O=P(OCCC(=O)O)(O)O

Name:

3-(phosphonooxy)propanoic acid

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).