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4,6-Dioxoheptanoic acid

CAT: 0931-T8273-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T8273-01Size:10 mg
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CAS Number
51568-18-4
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9996
Bioactivity
4,6-Dioxoheptanoic acid (Succinylacetone) acts as a potent inhibitor of heme biosynthesis.
Smiles
O=C(O)CCC(=O)CC(=O)C
Molecular Formula
C7H10O4
Molecular Weight
158.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Succinylacetone

4,6-dioxoheptanoic acid is a dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia. It has a role as a human metabolite. It is a dioxo monocarboxylic acid and a beta-diketone.

CAS Number51568-18-4
PubChem CID5312
IUPAC Name4,6-dioxoheptanoic acid
Molecular FormulaC7H10O4
Molecular Weight158.15
XLogP-0.8
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity183
SMILES
CC(=O)CC(=O)CCC(=O)O
InChI
InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKey
WYEPBHZLDUPIOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Succinylacetone
CAS: 51568-18-4
CID: 5312
Formula: C7H10O4
MW: 158.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.15
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass158.05790880
Monoisotopic Mass158.05790880
Topological Polar Surface Area71.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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