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BioLiP

PDB CCD ID: GOS
Number of entries in BioLiP: 2
Chemical formula: C6 H16 O12 P2
InChI: InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6-/m1/s1
InChIKey: WOYYTQHMNDWRCW-JGWLITMVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 2.0.6C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.385O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 12.01C(C(O)C(O)C(C(COP(=O)(O)O)O)O)OP(O)(=O)O
CACTVS 3.385O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
Name:D-Glucitol-1,6-bisphosphate;
1,6-di-O-phosphono-D-glucitol
ChEMBL: CHEMBL404748
ZINC: ZINC000013682453
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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