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FT5

Summary
Name:(3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
Formula:C7 H12 O5
Formal charge:0
Formula weight:176.167 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3~{R})-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H12O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h3-6,8-10H,1-2H2,(H,11,12)/t3-,4+,5-,6-
InChIKeyInChI1.03SOWVWGZSLABJMC-HMWJNGDSSA-N
SMILES_CANONICALCACTVS3.385O[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
SMILESCACTVS3.385O[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C1[C@H](C(C(CC1C(=O)O)O)O)O
SMILESOpenEye OEToolkits2.0.6C1C(CC(C(C1O)O)O)C(=O)O

217705

PDB entries from 2024-03-27

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