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BioLiP

PDB CCD ID: Z3L
Number of entries in BioLiP: 1
Chemical formula: C14 H20 O10
InChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
InChIKey: IEOLRPPTIGNUNP-MBJXGIAVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
OpenEye OEToolkits 1.7.6CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C
CACTVS 3.370CC(=O)OC[C@H]1O[C@@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
CACTVS 3.370CC(=O)OC[CH]1O[CH](O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O
OpenEye OEToolkits 1.7.6CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C
Name:2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose
ZINC: ZINC000034621020
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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