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KD5

Summary
Name:4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
Formula:C8 H12 O7
Formal charge:0
Formula weight:220.177 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
OpenEye OEToolkits1.7.63-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(=O)CC1OC(CO)C(O)C1O
InChIInChI1.03InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4?,5-,6-,7-/m1/s1
InChIKeyInChI1.03HVHHMEMCULPBED-UVSCYPECSA-N
SMILES_CANONICALCACTVS3.370OC[C@H]1O[C@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.370OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O

225946

PDB entries from 2024-10-09

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