BioLiP

PDB

BioLiP

PDB CCD ID:

TGD

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1

InChIKey:

IXDZFGATLNCIOI-PBXRRBTRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)[CH](O)[CH](O)[CH](O)CO
OpenEye OEToolkits 1.9.2	CC(=O)C(C(C(CO)O)O)O
ACDLabs 12.01	CC(=O)C(O)C(O)C(CO)O
CACTVS 3.385	CC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.9.2	CC(=O)[C@H]([C@H]([C@@H](CO)O)O)O

Name:

1-deoxy-D-tagatose

ChEMBL:

CHEMBL4535505

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).