Record Information |
---|
Version |
1.0 |
---|
Update Date |
1/22/2018 11:54:54 AM |
---|
Metabolite ID | PAMDB110170 |
---|
Identification |
---|
Name: |
4-fumaryl-acetoacetate |
---|
Description: | A dicarboxylic acid dianion resuting from removal of a proton from both carboxy groups of 4-fumarylacetoacetic acid. |
---|
Structure |
|
---|
Synonyms: | - Fumarylacetoacetone
- 4-Fumarylacetoacetate
- (e)-4,6-dioxo-2-Octenedioate
- (e)-4,6-dioxo-2-Octenedioic acid
- 4-Fumaryl-acetoacetate
- Fumarylacetoacetate
|
---|
Chemical Formula: |
C8H6O6
|
---|
Average Molecular Weight: |
198.13 |
---|
Monoisotopic Molecular
Weight: |
200.0320879894 |
---|
InChI Key: |
GACSIVHAIFQKTC-OWOJBTEDSA-L |
---|
InChI: |
InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2/b2-1+ |
---|
CAS
number: |
28613-33-4 |
---|
IUPAC Name: | (2E)-4,6-dioxooct-2-enedioate |
---|
Traditional IUPAC Name: |
4-fumarylacetoacetic acid |
---|
SMILES: | C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O |
---|
Chemical Taxonomy |
---|
Taxonomy Description | This compound belongs to the class of chemical entities known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
---|
Kingdom |
Chemical entities |
---|
Super Class | Organic compounds |
---|
Class |
Organic acids and derivatives |
---|
Sub Class | Keto acids and derivatives |
---|
Direct Parent |
Medium-chain keto acids and derivatives |
---|
Alternative Parents |
|
---|
Substituents |
- Medium-chain keto acid
- Beta-keto acid
- 1,3-diketone
- Beta-hydroxy ketone
- Dicarboxylic acid or derivatives
- Unsaturated fatty acid
- 1,3-dicarbonyl compound
- Fatty acyl
- Enone
- Acryloyl-group
- Alpha,beta-unsaturated ketone
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Aliphatic acyclic compound
|
---|
Molecular Framework |
Aliphatic acyclic compounds |
---|
External Descriptors |
|
---|
Physical Properties |
---|
State: |
Solid |
---|
Charge: | -2 |
---|
Melting point: |
Not Available |
---|
Experimental Properties: |
Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties |
|
---|
Biological Properties |
---|
Cellular Locations: |
Not Available |
---|
Reactions: | |
---|
Pathways: |
|
---|
Spectra |
---|
Spectra: |
|
---|
References |
---|
References: |
- Jorquera R, Tanguay RM (2001)Fumarylacetoacetate, the metabolite accumulating in hereditary tyrosinemia, activates the ERK pathway and induces mitotic abnormalities and genomic instability. Human molecular genetics 10, Pubmed: 11532983
|
---|
Synthesis Reference: |
Not Available |
---|
Material Safety Data Sheet (MSDS) |
Not Available |
---|
Links |
---|
External Links: |
|
---|