BioLiP

PDB

BioLiP

PDB CCD ID:

N52

Number of entries in BioLiP:

Chemical formula:

C5 H11 O8 P

InChI:

InChI=1S/C5H11O8P/c1-3(6)5(9,4(7)8)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t5-/m0/s1

InChIKey:

IYNPDRWOJYWTNN-YFKPBYRVSA-N

SMILES:

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

Name:

(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate

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).