BioLiP

PDB

BioLiP

PDB CCD ID:

BG6

Number of entries in BioLiP:

Chemical formula:

C6 H13 O9 P

InChI:

InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

InChIKey:

NBSCHQHZLSJFNQ-VFUOTHLCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341	O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O

Name:

6-O-phosphono-beta-D-glucopyranose;
BETA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose

ChEMBL:

CHEMBL257975

DrugBank:

DB04122

ZINC:

ZINC000003875374

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).