BioLiP

PDB

BioLiP

PDB CCD ID:

26T

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/h5,8H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1

InChIKey:

AKHNGSPNHAFBII-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)[C@@H](O)C(=O)CO[P](O)(O)=O
ACDLabs 12.01	O=P(OCC(=O)C(O)C(=O)C)(O)O
CACTVS 3.385	CC(=O)[CH](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.9.2	CC(=O)C(C(=O)COP(=O)(O)O)O
OpenEye OEToolkits 1.9.2	CC(=O)[C@H](C(=O)COP(=O)(O)O)O

Name:

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

ZINC:

ZINC000100189888

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).