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I22

Summary
Name:D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE
Synonyms:7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE
SEDOHEPTULOSE 7-PHOSPHATE
Formula:C7 H15 O10 P
Formal charge:0
Formula weight:290.162 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-O-phosphono-D-altro-hept-2-ulose
OpenEye OEToolkits1.7.2[(2R,3R,4R,5S)-2,3,4,5,7-pentakis(oxidanyl)-6-oxidanylidene-heptyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O
InChIInChI1.03InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1
InChIKeyInChI1.03JDTUMPKOJBQPKX-GBNDHIKLSA-N
SMILES_CANONICALCACTVS3.370OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
SMILESCACTVS3.370OCC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.7.2C(C(C(C(C(C(=O)CO)O)O)O)O)OP(=O)(O)O

227111

数据于2024-11-06公开中

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