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XGP

Summary
Name:1-O-phosphono-beta-D-glucopyranose
Synonyms:1-O-phosphono-beta-D-glucose
1-O-phosphono-D-glucose; 1-O-phosphono-glucose
Formula:C6 H13 O9 P
Formal charge:0
Formula weight:260.136 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs11.021-O-phosphono-beta-D-glucopyranose
OpenEye OEToolkits1.6.1[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
PDB-CARE1.0b-D-Glcp1PO3

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
SMILES_CANONICALCACTVS3.352OC[C@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.352OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
InChIInChI1.03InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyInChI1.03HXXFSFRBOHSIMQ-DVKNGEFBSA-N

227111

数据于2024-11-06公开中

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