2-amino-3-carboxymuconate semialdehyde

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 5280673
Molecular Formula

C7H7NO5

SMILES

C(=C\C(=C(/C(=O)O)\N)\C(=O)O)\C=O

InChI

InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,5-4-

synonyms
  • 2-amino-3-carboxymuconate semialdehyde
  • 2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid
  • (Z)-2-amino-3-[(Z)-3-oxoprop-1-enyl]but-2-enedioic acid
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Properties
Property Value
MW 185.13 g/mol
HBD 3
HBA 6
Rotatable Bond Count 4
Exact Mass 185.03242232 g/mol
Monoisotopic Mass 185.03242232 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 302
xlogp -0.5
Topological Polar Surface Area 118