BioLiP

PDB

BioLiP

PDB CCD ID:

N46

Number of entries in BioLiP:

Chemical formula:

C5 H9 O7 P

InChI:

InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1

InChIKey:

DTZHMTDUIGHESZ-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)C(=O)C(COP(=O)(O)O)O
OpenEye OEToolkits 2.0.7	CC(=O)C(=O)[C@@H](COP(=O)(O)O)O
CACTVS 3.385	CC(=O)C(=O)[CH](O)CO[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)OCC(O)C(=O)C(C)=O
CACTVS 3.385	CC(=O)C(=O)[C@H](O)CO[P](O)(O)=O

Name:

(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate

ZINC:

ZINC000100200037

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).