BioLiP

PDB

BioLiP

PDB CCD ID:

ZNS

Number of entries in BioLiP:

Chemical formula:

C4 H7 O7 P

InChI:

InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)

InChIKey:

NCRLTRUGOQIEKI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(=O)OP(=O)(O)O)C(=O)O
CACTVS 3.385	OC(=O)CCC(=O)O[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)OC(=O)CCC(=O)O

Name:

4-oxo-4-(phosphonooxy)butanoic 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).