BioLiP

PDB

BioLiP

PDB CCD ID:

A1H1F

Number of entries in BioLiP:

Chemical formula:

C6 H12 O8 S

InChI:

InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

InChIKey:

QFBWOLBPVQLZEH-FPRJBGLDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O
CACTVS 3.385	O[C@@H]1O[C@H](C[S](O)(=O)=O)[C@H](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)O)O)O)S(=O)(=O)O
CACTVS 3.385	O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O

Name:

6-deoxy-6-sulfo-beta-D-galacto-heptopyranose;
6-deoxy-6-sulfo-beta-D-galacto-heptose;
6-deoxy-6-sulfo-D-galacto-heptose;
6-deoxy-6-sulfo-galacto-heptose;
6-DEOXY-6-SULFO-D-GALACTO-HEPTOPYRANOSE;
[(2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid

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).