Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

Obsolete: U63

Summary
Name:2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
Formula:C12 H21 F O10
Formal charge:0
Formula weight:344.288 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
OpenEye OEToolkits1.7.6(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-5-fluoranyl-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO
InChIInChI1.03InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)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
InChIKeyInChI1.03CHZBROHNUFSPPZ-DZGNIOAVSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](F)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](O[CH]2[CH](O)[CH](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6C([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]2O)F)O)CO)O)O)O)O
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F)O)CO)O)O)O)O

222624

數據於2024-07-17公開中

PDB statisticsPDBj update infoContact PDBjnumon