BioLiP

PDB

BioLiP

PDB CCD ID:

DXP

Number of entries in BioLiP:

Chemical formula:

C5 H11 O7 P

InChI:

InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1

InChIKey:

AJPADPZSRRUGHI-RFZPGFLSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0	CC(=O)C(C(COP(=O)(O)O)O)O
CACTVS 3.341	CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341	CC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OCC(O)C(O)C(=O)C

Name:

1-DEOXY-D-XYLULOSE-5-PHOSPHATE

ChEMBL:

CHEMBL1232414

DrugBank:

DB02496

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).