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BioLiP

PDB CCD ID: 6BG
Number of entries in BioLiP: 1
Chemical formula: C6 H11 Br O5
InChI: InChI=1S/C6H11BrO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKey: HMQFPHZJIMIFTL-VFUOTHLCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01BrCC1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)Br
CACTVS 3.370O[CH]1O[CH](CBr)[CH](O)[CH](O)[CH]1O
CACTVS 3.370O[C@@H]1O[C@H](CBr)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br
Name:6-bromo-6-deoxy-beta-D-glucopyranose;
6-bromo-6-deoxy-beta-D-glucose;
6-bromo-6-deoxy-D-glucose;
6-bromo-6-deoxy-glucose
ZINC: ZINC000029311617
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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