BioLiP

PDB

BioLiP

PDB CCD ID:

X2Y

Number of entries in BioLiP:

Chemical formula:

C6 H12 O11 S2

InChI:

InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1

InChIKey:

DEUKUMHVPJKBEV-SXUWKVJYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O[S](O)(=O)=O
CACTVS 3.385	C[C@@H]1O[C@@H](O)[C@@H](O[S](O)(=O)=O)[C@H](O)[C@@H]1O[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O
ACDLabs 12.01	C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C
OpenEye OEToolkits 2.0.7	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O

Name:

2,4-di-O-sulfo-alpha-L-fucopyranose;
6-deoxy-2,4-di-O-sulfo-alpha-L-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).