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BioLiP

PDB CCD ID: FDQ
Number of entries in BioLiP: 1
Chemical formula: C6 H14 O10 P2
InChI: InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
InChIKey: YBOWGOLYQKBCFB-JGWLITMVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1[CH](O)[CH](C[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
CACTVS 3.341O[C@H]1[C@H](O)[C@H](C[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O
ACDLabs 10.04O=P(OCC1OC(C(O)C1O)CP(=O)(O)O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)CP(=O)(O)O)O)O)OP(=O)(O)O
Name:2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol;
D-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPHONOHEXITOL-6-PHOSPHATE
DrugBank: DB02393
ZINC: ZINC000005829950
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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