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Summary

Name:3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid
Formula:C8 H15 O11 P
Formal charge:0
Molecular weight:318.172 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid
OpenEye OEToolkits1.5.0(4R,5R,6R,7R)-4,5,6,7-tetrahydroxy-2-oxo-8-phosphonooxy-octanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)CC(=O)C(=O)O
SMILES_CANONICALCACTVS3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)CC(=O)C(O)=O
SMILESCACTVS3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CC(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O
InChIInChI1.03InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
InChIKeyInChI1.03RTNBXJBOAIDPME-SHUUEZRQSA-N