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S6P

Summary
Name:D-SORBITOL-6-PHOSPHATE
Synonyms:1-O-PHOSPHONO-D-GLUCITOL
D-GLUCITOL-6-PHOSPHATE
Formula:C6 H15 O9 P
Formal charge:0
Formula weight:262.152 Da
Component type:D-SACCHARIDE

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-O-phosphono-D-glucitol
OpenEye OEToolkits1.5.0[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)CO
SMILES_CANONICALCACTVS3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
SMILESCACTVS3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
InChIInChI1.03InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyInChI1.03GACTWZZMVMUKNG-SLPGGIOYSA-N

218853

PDB entries from 2024-04-24

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