|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 11:54:54 AM |
|---|
|
Metabolite ID | PAMDB110753 |
|---|
|
Identification |
|---|
| Name: |
2-hydroxy-4-oxobutane-1,2,4-tricarboxylate |
|---|
| Description: | The tricarboxylate anion of 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid; major species at pH 7.3. |
|---|
|
Structure |
|
|---|
| Synonyms: | -
γ-oxalocitramalate
-
4-oxalocitramalate
-
4-carboxy-4-hydroxy-2-ketoadipate
-
4-hydroxy-4-carboxymethyl-2-oxoglutarate
-
4-carboxy-4-hydroxy-2-oxoadipate
|
|---|
|
Chemical Formula: |
C7H5O8
|
|---|
| Average Molecular Weight: |
217.11 |
|---|
| Monoisotopic Molecular
Weight: |
220.0219172336 |
|---|
| InChI Key: |
RQMCNDRMPZBEOD-UHFFFAOYSA-K |
|---|
| InChI: |
InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)/p-3 |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | 2-hydroxy-4-oxobutane-1,2,4-tricarboxylate |
|---|
|
Traditional IUPAC Name: |
Not Available |
|---|
| SMILES: | C(C(CC(O)(CC(=O)[O-])C(=O)[O-])=O)(=O)[O-] |
|---|
|
Chemical Taxonomy |
|---|
|
Taxonomy Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
|
Class |
Carboxylic acids and derivatives |
|---|
| Sub Class | Tricarboxylic acids and derivatives |
|---|
|
Direct Parent |
Tricarboxylic acids and derivatives |
|---|
| Alternative Parents |
|
|---|
| Substituents |
- Tricarboxylic acid or derivatives
- Gamma-keto acid
- Alpha-keto acid
- Beta-hydroxy ketone
- Keto acid
- Tertiary alcohol
- Ketone
- Carboxylic acid
- Alcohol
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organic anion
- Aliphatic acyclic compound
|
|---|
| Molecular Framework |
Aliphatic acyclic compounds |
|---|
| External Descriptors |
- tricarboxylic acid trianion (CHEBI:58075)
- a small molecule (4-OH-4-ACETYL-2-OXOGLUTARATE)
|
|---|
|
Physical Properties |
|---|
| State: |
Not Available |
|---|
| Charge: | -3 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
Not Available |
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Not Available |
|---|
| Reactions: | |
|---|
|
Pathways: |
|
|---|
|
Spectra |
|---|
| Spectra: |
Not Available |
|---|
|
References |
|---|
| References: |
Not Available |
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
