Record Information |
---|
Version |
1.0 |
---|
Update Date |
1/22/2018 12:54:54 PM |
---|
Metabolite ID | PAMDB110102 |
---|
Identification |
---|
Name: |
oxalosuccinate |
---|
Description: | A tricarboxylic acid trianion that is the conjugate base of oxalosuccinic acid. |
---|
Structure |
|
---|
Synonyms: | |
---|
Chemical Formula: |
C6H3O7
|
---|
Average Molecular Weight: |
187.08 |
---|
Monoisotopic Molecular
Weight: |
190.0113525473 |
---|
InChI Key: |
UFSCUAXLTRFIDC-UHFFFAOYSA-K |
---|
InChI: |
InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3 |
---|
CAS
number: |
1948-82-9 |
---|
IUPAC Name: | 1-oxopropane-1,2,3-tricarboxylate |
---|
Traditional IUPAC Name: |
oxalosuccinate |
---|
SMILES: | C(C([O-])=O)C(C(C(=O)[O-])=O)C([O-])=O |
---|
Chemical Taxonomy |
---|
Taxonomy Description | This compound belongs to the class of chemical entities known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
---|
Kingdom |
Chemical entities |
---|
Super Class | Organic compounds |
---|
Class |
Organic acids and derivatives |
---|
Sub Class | Carboxylic acids and derivatives |
---|
Direct Parent |
Tricarboxylic acids and derivatives |
---|
Alternative Parents |
|
---|
Substituents |
- Tricarboxylic acid or derivatives
- Gamma-keto acid
- Beta-keto acid
- Alpha-keto acid
- Beta-hydroxy ketone
- Keto acid
- 1,3-dicarbonyl compound
- Alpha-hydroxy ketone
- Ketone
- Carboxylic acid
- Organic oxide
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Aliphatic acyclic compound
|
---|
Molecular Framework |
Aliphatic acyclic compounds |
---|
External Descriptors |
|
---|
Physical Properties |
---|
State: |
Solid |
---|
Charge: | -3 |
---|
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: |
- acetyl-CoA assimilationP22-PWY
- TCA cycle VI (obligate autotrophs)PWY-5913
- TCA cycle V (2-oxoglutarate:ferredoxin oxidoreductase)PWY-6969
- TCA cycle III (helicobacter)REDCITCYC
|
---|
Spectra |
---|
Spectra: |
|
---|
References |
---|
References: |
Not Available |
---|
Synthesis Reference: |
Takeda, Isao; Iguchi, Takashi. Fermentative production of oxalosuccinic acid from hydrocarbons. Jpn. Tokkyo Koho (1972), 3 pp. |
---|
Material Safety Data Sheet (MSDS) |
Not Available |
---|
Links |
---|
External Links: |
|
---|