| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| References | |
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| Additional Infomation |
Trans-aconitic acid is the trans isomer of aconitic acid and is an important metabolite. It is the conjugate acid of trans-aconitic acid (3-). Trans-aconitic acid is a metabolite found or produced in Escherichia coli (K12 strain, MG1655 strain). Trans-aconitic acid has also been reported in barnyard grass, European aspen, and some other organisms with relevant data. Trans-aconitic acid is a metabolite found or produced in Saccharomyces cerevisiae. It is a tricarboxylic acid with the molecular formula (COOH)-CH2-C(COOH)=CH-COOH. 1. Background of trans-aconitic acid: Trans-aconitic acid is a natural organic acid found in sugarcane. Trans-aconitic acid is a byproduct of the plant tricarboxylic acid cycle (TCA cycle) and can affect the quality of sugar products (e.g., color and crystallization) during sugar production. This study aims to establish a reliable quantitative method for trans-aconitic acid to monitor its content changes at different stages of sugar production [1].
2. Quantitative analysis steps of trans-aconitic acid in sugar samples: a. Sample pretreatment: Dilute sugar samples (including sugarcane juice, clarified juice, evaporated syrup and molasses) with ultrapure water to an appropriate concentration. Then, take 5 mL of the diluted sample and mix with 1 mL of 0.1 M phosphoric acid (pH 2.5) and vortex for 1 minute. Centrifuge the mixture at 10,000 × g for 15 minutes at 4°C, and filter the supernatant through a 0.22 μm hydrophilic polyethersulfone (PES) membrane to remove impurities [1] b. Chromatographic conditions: High performance liquid chromatography (HPLC) was used with a C18 reversed-phase column (250 mm × 4.6 mm, 5 μm particle size). The mobile phase was a mixture of 0.1 M phosphoric acid (pH 2.5) and acetonitrile (98:2, v/v) at a flow rate of 1.0 mL/min. The column temperature was maintained at 30°C and the detection wavelength was set to 210 nm. The injection volume was 20 μL [1] c. Method validation: The standard curve was based on trans-aconitine with a concentration range of 5 μg/mL to 200 μg/mL. The linear correlation coefficient (R²) was 0.9998. The limit of detection (LOD) was 1.2 μg/mL and the limit of quantitation (LOQ) was 3.8 μg/mL. In sugar samples with added trans-aconitine, the recovery rate of trans-aconitine was between 92.3% and 97.8%, and the relative standard deviation (RSD) was between 1.5% and 3.2%, indicating that the method has good accuracy and precision [1]. 3. Content distribution at different stages of sugar production: The trans-aconitic acid content at different stages was detected in this study: sugarcane juice (12.5–18.3 μg/mL), clarified juice (10.2–15.7 μg/mL), evaporated syrup (85.6–102.4 μg/mL) and molasses (215.3–256.7 μg/mL). The trans-aconitic acid content increased significantly during the evaporation and concentration stages, which was attributed to the reduction of moisture and the stability of trans-aconitic acid under high temperature conditions [1]. |
| Molecular Formula |
C6H6O6
|
|---|---|
| Molecular Weight |
174.1082
|
| Exact Mass |
174.016
|
| CAS # |
4023-65-8
|
| Related CAS # |
(Z)-Aconitic acid-13C6;2456413-64-0
|
| PubChem CID |
444212
|
| Appearance |
White to off-white solid powder
|
| Density |
1.7±0.1 g/cm3
|
| Boiling Point |
542.6±50.0 °C at 760 mmHg
|
| Melting Point |
190 °C (dec.)(lit.)
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| Flash Point |
296.0±26.6 °C
|
| Vapour Pressure |
0.0±3.1 mmHg at 25°C
|
| Index of Refraction |
1.571
|
| LogP |
0.63
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
12
|
| Complexity |
251
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
|
| InChi Key |
GTZCVFVGUGFEME-HNQUOIGGSA-N
|
| InChi Code |
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
|
| Chemical Name |
(E)-prop-1-ene-1,2,3-tricarboxylic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
H2O : ~100 mg/mL (~574.35 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 50 mg/mL (287.17 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7435 mL | 28.7175 mL | 57.4350 mL | |
| 5 mM | 1.1487 mL | 5.7435 mL | 11.4870 mL | |
| 10 mM | 0.5743 mL | 2.8717 mL | 5.7435 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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