BioLiP

PDB

BioLiP

PDB CCD ID:

DX5

Number of entries in BioLiP:

Chemical formula:

C5 H13 O8 P

InChI:

InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1

InChIKey:

VJDOAZKNBQCAGE-VPENINKCSA-N

SMILES:

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

Name:

D-XYLITOL-5-PHOSPHATE;
D-HYLITOL-5-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).