BioLiP

PDB

BioLiP

PDB CCD ID:

0WK

Number of entries in BioLiP:

Chemical formula:

C6 H13 O8 P

InChI:

InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1

InChIKey:

KAJAXXUCVJFKFM-SLPGGIOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1C(C(C(C(O1)COP(=O)(O)O)O)O)O
CACTVS 3.370	O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	O=P(O)(O)OCC1OCC(O)C(O)C1O
OpenEye OEToolkits 1.7.6	C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O
CACTVS 3.370	O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O

Name:

1,5-anhydro-6-O-phosphono-D-glucitol

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).