6GT

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Summary

Name:2-oxoheptanedioic acid
Synonyms:2-Ketopimelic acid
Formula:C7 H10 O5
Formal charge:0
Molecular weight:174.151 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-oxoheptanedioic acid
OpenEye OEToolkits2.0.42-oxidanylideneheptanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CCCCC(C(=O)O)=O)O
InChIInChI1.03InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
InChIKeyInChI1.03HABHUTWTLGRDDU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCCCC(=O)C(O)=O
SMILESCACTVS3.385OC(=O)CCCCC(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4C(CCC(=O)O)CC(=O)C(=O)O
SMILESOpenEye OEToolkits2.0.4C(CCC(=O)O)CC(=O)C(=O)O
171588
PDB entries from 2020-11-25