BioLiP

PDB

BioLiP

PDB CCD ID:

XDP

Number of entries in BioLiP:

Chemical formula:

C5 H14 O12 P2

InChI:

InChI=1S/C5H14O12P2/c6-3(1-16-18(10,11)12)4(7)5(8,9)2-17-19(13,14)15/h3-4,6-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+/m1/s1

InChIKey:

XXHQHBUKQCAIGV-DMTCNVIQSA-N

SMILES:

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

Name:

D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE

ZINC:

ZINC000016051392

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).