SEQ2FUN

BioLiP

PDB CCD ID: D0N
Number of entries in BioLiP: 0
Chemical formula: C12 H21 F O10
InChI: InChI=1S/C12H21FO10/c13-5-7(17)11(20)21-4(2-15)10(5)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12-/m1/s1
InChIKey: VTFMBBVCESUVNC-MZIZBZDASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(O1)OC2C(OC(C(C2F)O)O)CO)O)O)O)O
CACTVS 3.385OC[CH]1O[CH](O[CH]2[CH](F)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@H](O[C@H]2[C@H](F)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Name:(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).