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BioLiP

PDB CCD ID: B16
Number of entries in BioLiP: 7
Chemical formula: C6 H14 O12 P2
InChI: InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
InChIKey: RWHOZGRAXYWRNX-DVKNGEFBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)(O)=O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@@H](O[P](O)(O)=O)[C@@H]1O
Name:1,6-di-O-phosphono-beta-D-glucopyranose;
1,6-di-O-phosphono-beta-D-glucose;
1,6-di-O-phosphono-D-glucose;
1,6-di-O-phosphono-glucose
ZINC: ZINC000012502703
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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