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BioLiP

PDB CCD ID: DG6
Number of entries in BioLiP: 2
Chemical formula: C6 H15 O8 P
InChI: InChI=1S/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6+/m1/s1
InChIKey: KLPBNGZTTQNYHR-PBXRRBTRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)C(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.5.0C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O
CACTVS 3.341OCC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341OCC[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)CCO
Name:2-DEOXY-GLUCITOL-6-PHOSPHATE
DrugBank: DB04516
ZINC: ZINC000005828787
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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