BioLiP

PDB

BioLiP

PDB CCD ID:

X6Y

Number of entries in BioLiP:

Chemical formula:

C6 H12 O8 S

InChI:

InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1

InChIKey:

CRKVWMQHXZHLCV-SXUWKVJYSA-N

SMILES:

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

Name:

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