Moniliformin
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Category | Mycotoxins |
Catalog number | BBF-03836 |
CAS | 71376-34-6 |
Molecular Weight | 120.00 |
Molecular Formula | C4HO3Na |
Purity | >98% |
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Description
Moniliformin, a kind of water-soluble mycotoxin, could be obtained from sorts of Fusarium and has been found to exhibit toxicity to splenocytes, cardiac and skeletal myocytes.
Specification
Related CAS | 39284-13-4 (free acid) |
Synonyms | 1-Hydroxycyclobut-1-ene-3,4-dione |
Storage | Store at 2-8°C |
IUPAC Name | sodium;3,4-dioxocyclobuten-1-olate |
Canonical SMILES | C1=C(C(=O)C1=O)[O-].[Na+] |
InChI | InChI=1S/C4H2O3.Na/c5-2-1-3(6)4(2)7;/h1,5H;/q;+1/p-1 |
InChI Key | FERDNJVXTWPNSA-UHFFFAOYSA-M |
Source | Moniliformin is produced by a number of fungi of the Fusarium species. It can by found in contaminated cereal crops. |
Properties
Appearance | Yellow Crystalline Solid |
Boiling Point | 239.6°C at 760 mmHg |
Melting Point | 340-356°C (dec.) |
Solubility | Soluble in Metanol, Water |
Toxicity
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Lethal Dose | LD50: 20.9 mg/kg (Mouse, Intraperitoneal). |
Mechanism Of Toxicity | Moniliformin reversibly inhibits the enzymes pyruvate dehydrogenase and alpha-ketoglutarate dehydrogenase by competing for the binding site of pyruvate. This interferes with the tricarboxylic acid cycle by preventing the necessary incorporation of pyruvate and oxidation of the alpha-ketoglutarate intermediate. Moniliformin has also been shown to interfere with carbohydrate metabolism by inhibiting transketolase and aldose reductase. Moniliformin is also known to cause DNA damage, inducing chromatid breaks, chromosome breaks, and chromatid exchanges. |
Reference Reading
Spectrum
Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Experimental Conditions
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C4H2O3
Molecular Weight (Monoisotopic Mass): 98.0004 Da
Molecular Weight (Avergae Mass): 98.0569 Da
LC-MS/MS Spectrum - 35V, Negative
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C4H2O3
Molecular Weight (Monoisotopic Mass): 98.0004 Da
Molecular Weight (Avergae Mass): 98.0569 Da
13C NMR Spectrum
Experimental Conditions
Nucleus: 13C
Frequency: 100
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2