Structure Database (LMSD)

Common Name
3-maleylpyruvic acid
Systematic Name
4,6-dioxo-2Z-heptenedioic acid
Synonyms
  • Maleylpyruvate
  • Maleylpyruvic acid
LM ID
LMFA01170065
Status
Active
Exact Mass
Calculate m/z
186.01644
Formula
Abbrev


Download as...
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)
AZCFLHZUFANAOR-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1-
SMILES (Click to copy)
C(/C(CC(=O)C(=O)O)=O)=C/C(O)=O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 169.20
Topological Polar Surface Area 108.74
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP -0.76
Molar Refractivity 39.04

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Created at
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Updated at
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