Moniliformin sodium salt - Moligand™, ≥95% , CAS No.71376-34-6

CAS: 71376-34-6 Cat. No.: M139602 Molecular Weight: 120.04 + x(18.02) EC Number: 636-113-2

GRADE & PURITY Moligand™, ≥95%

Synonyms

FT-0628971 | Q56954447 | CCRIS 7906 | 1-Hydroxycyclobut-1-ene-3,4-dione . sodium salt | sodium;3,4-dioxocyclobuten-1-olate | sodium 3,4-dioxocyclobut-1-enolate | DTXSID60221572 | 3-CYCLOBUTENE-1,2-DIONE, 3-HYDROXY-, SODIUM SALT | Moniliformin sodium salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Moniliformin is a mycotoxin, formed in many cereals by a number of Fusarium species that include, besides moniliforme, Fusarium avenaceum. Fusarium subglutinans, Fusarium proliferatum and others. Moniliformin is supplied as sodium salt of 1-hydroxycyclobut-1-ene-3,4-dione.

Application：

Moniliformin sodium salt from Fusarium proliferatum has been used as a mycotoxin standard:
to test its acute oral toxicity in mice.
to test its subacute toxic effects in rats.
in characterizing mycotoxins from Aspergillus.

Specifications

Synonyms

FT-0628971 | Q56954447 | CCRIS 7906 | 1-Hydroxycyclobut-1-ene-3, 4-dione . sodium salt | sodium;3, 4-dioxocyclobuten-1-olate | sodium 3, 4-dioxocyclobut-1-enolate | DTXSID60221572 | 3-CYCLOBUTENE-1, 2-DIONE, 3-HYDROXY-, SODIUM SALT | Moniliformin sodium salt

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Moniliformin (MON) is implicated for its toxic potential and may lead to respiratory distress and progressive muscular weakness in rats.[1] It inhibits the tricarboxylic acid (TCA) cycle oxidation step. By acting as a pyruvate substrate, MON effectively i

Source

Fusarium moniliforme

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C(C(=O)C1=O)[O-].[Na+]
• IUPAC Name: sodium;3,4-dioxocyclobuten-1-olate
• InChIKey: FERDNJVXTWPNSA-UHFFFAOYSA-M
• INCHI: 1S/C4H2O3.Na/c5-2-1-3(6)4(2)7;/h1,5H;/q;+1/p-1
• Isomeric SMILES: C1=C(C(=O)C1=O)[O-].[Na+]
• WGK Germany: 3
• RTECS: GU1815000
• Alternate CAS: 31876-38-7
• Molecular Weight: 120.04 + x(18.02)
• Reaxy-Rn: 10712294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10712294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Vinylogous acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Vinylogous acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous acids
• Alternative Parents: Cyclic ketones Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Vinylogous acid - Cyclic ketone - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as vinylogous acids. These are organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Moniliformin is soluble in water and polar solvents, such as methanol
• Sensitivity: Moisture sensitive
• Molecular Weight: 120.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 119.982 Da
• Monoisotopic Mass: 119.982 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3