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BioLiP

PDB CCD ID: FQ8
Number of entries in BioLiP: 36
Chemical formula: C15 H35 O22 P3
InChI: InChI=1S/C15H35O22P3/c16-1-7(17)13(23)9(19)3-34-39(29,30)36-5-11(21)15(25)12(22)6-37-40(31,32)35-4-10(20)14(24)8(18)2-33-38(26,27)28/h7-25H,1-6H2,(H,29,30)(H,31,32)(H2,26,27,28)/t7-,8-,9+,10+,11+,12-,13-,14-,15+/m0/s1
InChIKey: OFDIUZNQYOUSRP-VACZDDTMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O
OpenEye OEToolkits 2.0.6C(C(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.385OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O
Name:
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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