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BioLiP

PDB CCD ID: JVS
Number of entries in BioLiP: 1
Chemical formula: C7 H14 F O9 P
InChI: InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1
InChIKey: QZQSCDCQGPJKOV-XUUWZHRGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(O1)(CF)OP(=O)(O)O)O)O)O)O
CACTVS 3.385OC[CH]1O[C](CF)(O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@](CF)(O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O
OpenEye OEToolkits 2.0.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O
Name:1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose;
1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose;
1-deoxy-1-fluoro-2-O-phosphono-D-gluco-hept-2-ulose;
1-deoxy-1-fluoro-2-O-phosphono-gluco-hept-2-ulose
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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