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BJ1

Summary
Name:(1R,2S)-1-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate
Formula:C10 H20 O10 S2
Formal charge:0
Formula weight:364.39 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1[(2S,3R,4S)-1-[(1S,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5-trihydroxy-pentan-3-yl] sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352OC[C@H](O)[C@@H](O[S]([O-])(=O)=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO
SMILESCACTVS3.352OC[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO
SMILES_CANONICALOpenEye OEToolkits1.7.0C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O
SMILESOpenEye OEToolkits1.7.0C1C(C(C([S+]1CC(C(C(CO)O)OS(=O)(=O)[O-])O)CO)O)O
InChIInChI1.03InChI=1S/C10H20O10S2/c11-1-5(13)10(20-22(17,18)19)7(15)4-21-3-6(14)9(16)8(21)2-12/h5-16H,1-4H2/t5-,6+,7+,8+,9-,10+,21-/m0/s1
InChIKeyInChI1.03RJAPJYRCCYZVIU-BZCOVLGNSA-N

222415

數據於2024-07-10公開中

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