BioLiP

PDB

BioLiP

PDB CCD ID:

LX1

Number of entries in BioLiP:

Chemical formula:

C5 H13 O7 P

InChI:

InChI=1S/C5H13O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4+,5+/m1/s1

InChIKey:

YPXGTKHZRCDZTL-WISUUJSJSA-N

SMILES:

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

Name:

L-XYLULOSE 5-PHOSPHATE

ZINC:

ZINC000006494205

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).