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BioLiP Library

PDB CCD ID: DGS
Number of entries in BioLiP: 17
Chemical formula: C6 H10 O8 S
InChI: InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1
InChIKey: BBGPRYFPTZDJIZ-PHYPRBDBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O
CACTVS 3.352O[CH]1O[CH]2CO[CH]([CH]2O)[CH]1O[S](O)(=O)=O
ACDLabs 11.02O=S(=O)(O)OC1C2OCC(OC1O)C2O
OpenEye OEToolkits 1.7.0C1C2C(C(O1)C(C(O2)O)OS(=O)(=O)O)O
CACTVS 3.352O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O[S](O)(=O)=O
Name:3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose;
3,6-ANHYDRO-D-GALACTOSE-2-SULFATE;
3,6-anhydro-2-O-sulfo-alpha-D-galactose;
3,6-anhydro-2-O-sulfo-D-galactose;
3,6-anhydro-2-O-sulfo-galactose
DrugBank: DB01981
ZINC: ZINC000005851134

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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