BioLiP

PDB

BioLiP

PDB CCD ID:

TG6

Number of entries in BioLiP:

Chemical formula:

C6 H13 O9 P

InChI:

InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m1/s1

InChIKey:

GSXOAOHZAIYLCY-PBXRRBTRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 12.01	O=P(OCC(O)C(O)C(O)C(=O)CO)(O)O
CACTVS 3.385	OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6	C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.6	C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O

Name:

6-O-phosphono-D-tagatose

DrugBank:

DB04277

ZINC:

ZINC000085550138

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).