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BioLiP

PDB CCD ID: FMO
Number of entries in BioLiP: 0
Chemical formula: C12 H19 F3 O9
InChI: InChI=1S/C12H19F3O9/c13-11-12(14,15)9(21)8(4(2-17)23-11)24-10-7(20)6(19)5(18)3(1-16)22-10/h3-11,16-21H,1-2H2/t3-,4-,5-,6+,7-,8-,9+,10-,11+/m1/s1
InChIKey: XXSHXGUAEVMBMC-DEIBAFIGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O)O)O)O
CACTVS 3.385OC[CH]1O[CH](O[CH]2[CH](O)C(F)(F)[CH](F)O[CH]2CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)OC2C(OC(C(C2O)(F)F)F)CO)O)O)O)O
ACDLabs 12.01FC2(F)C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2F)CO
CACTVS 3.385OC[C@H]1O[C@H](O[C@H]2[C@H](O)C(F)(F)[C@@H](F)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Name:2-deoxy-2,2-difluoro-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranosyl fluoride;
1,2,2-trifluoromaltose

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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