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BioLiP

PDB CCD ID: RGG
Number of entries in BioLiP: 2
Chemical formula: C9 H18 O8
InChI: InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
InChIKey: NHJUPBDCSOGIKX-NTXXKDEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O
ACDLabs 10.04O(CC(O)CO)C1OC(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O
CACTVS 3.341OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Name:(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside;
(2R)-glyceryl-beta-D-galactopyranoside;
(2R)-2,3-dihydroxypropyl beta-D-galactoside;
(2R)-2,3-dihydroxypropyl D-galactoside;
(2R)-2,3-dihydroxypropyl galactoside
ChEMBL: CHEMBL446492
ZINC: ZINC000004096297
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).
  • 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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