BioLiP

PDB

BioLiP

PDB CCD ID:

ZDO

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O11 S2

InChI:

InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1

InChIKey:

UWLKUQLVRABNAG-GKHCUFPYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O
CACTVS 3.370	CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O
CACTVS 3.370	CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O
OpenEye OEToolkits 1.7.6	CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O

Name:

methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside

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).