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Asparagusic acid

CAT: 0804-HY-50730-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-50730-01Size:5 mg
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Description
Asparagusic acid is a sulfur-containing flavor component produced by Asparagus officinalis Linn., with anti-parasitic effect. Asparagusic acid is a plant growth inhibitor[1][2][3].
CAS Number
2224-02-4
UNSPSC
12352005
Hazard Statement
H302+H312+H332
Target
Endogenous Metabolite; Parasite
Type
Natural Products
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Asparagusic-acid.html
Purity
96.0
Solubility
DMSO : ≥ 46 mg/mL
Smiles
O=C(O)C1CSSC1
Molecular Formula
C4H6O2S2
Molecular Weight
150.22
Precautions
H302+H312+H332
References & Citations
[1]Mitchell SC et al. Asparagusic acid. Phytochemistry. 2014 Jan;97:5-10.|[2]Takasugi, Mitsuo, et al. Identification of asparagusic acid as a nematicide occurring naturally in the roots of asparagus. Chemistry Letters (1975), (1), 43-4.|[3]Yoshio Kitahara, et al. Asparagusic acid, a new plant growth inhibitor in etiolated young asparagus shoots. Plant and Cell Physiology (1972), 13 (5), 923-25.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1,2-Dithiolane-4-carboxylic acid

Asparagusic acid is a sulfur-containing carboxylic acid, a dithiolanecarboxylic acid and a member of dithiolanes. It is a conjugate acid of an asparagusate. It derives from a hydride of a 1,2-dithiolane.

CAS Number2224-02-4
PubChem CID16682
IUPAC Namedithiolane-4-carboxylic acid
Molecular FormulaC4H6O2S2
Molecular Weight150.2
XLogP0.2
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
C1C(CSS1)C(=O)O
InChI
InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)
InChIKey
AYGMEFRECNWRJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dithiolane-4-carboxylic acid
CAS: 2224-02-4
CID: 16682
Formula: C4H6O2S2
MW: 150.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.2
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass149.98092178
Monoisotopic Mass149.98092178
Topological Polar Surface Area87.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A9990-10Asparagusic acid
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A20607-2Asparagusic acid 2mg
A20607-100Asparagusic acid 100mg
A20607-50Asparagusic acid 50mg
A20607-25Asparagusic acid 25mg
A20607-10Asparagusic acid 10mg
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