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BioLiP

PDB CCD ID: 1Y7
Number of entries in BioLiP: 1
Chemical formula: C7 H17 O10 P
InChI: InChI=1S/C7H17O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3-13H,1-2H2,(H2,14,15,16)/t3-,4+,5+,6+,7-/m0/s1
InChIKey: RCCDYOCQCITNBH-CJZRUXIPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O)O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(O)C(O)CO)(O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.385OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O
Name:(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate
ZINC: ZINC000098208056
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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