BioLiP

PDB

BioLiP

PDB CCD ID:

XBP

Number of entries in BioLiP:

Chemical formula:

C5 H12 O11 P2

InChI:

InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5+/m1/s1

InChIKey:

YAHZABJORDUQGO-WUJLRWPWSA-N

SMILES:

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

Name:

XYLULOSE-1,5-BISPHOSPHATE

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).