Structure Database (LMSD)

Common Name
2-amino-3-oxo-hexanedioic acid
Systematic Name
2-amino-3-oxo-hexanedioic acid
Synonyms
  • 2-Amino-3-oxohexanedioic acid
LM ID
LMFA01100036
Status
Active
Exact Mass
Calculate m/z
175.048074
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HXWZRYKURKEOSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)
SMILES (Click to copy)
OC(=O)C(N)C(=O)CCC(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 159.39
Topological Polar Surface Area 117.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP -0.88
Molar Refractivity 38.00

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Created at
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Updated at
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