BioLiP

PDB

BioLiP

PDB CCD ID:

A1APC

Number of entries in BioLiP:

Chemical formula:

C6 H12 O9 S

InChI:

InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6+/m1/s1

InChIKey:

OKUVUONOJCDUJY-PHYPRBDBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OS(=O)(=O)O
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)O)O)OS(=O)(=O)O
CACTVS 3.385	O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@H](O)[C@H]1O
CACTVS 3.385	O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	OC1C(O)C(COS(=O)(=O)O)OC(O)C1O

Name:

6-O-sulfo-alpha-D-galactopyranose

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).