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Docosanoic acid

CAT: 0804-HY-W013049-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W013049-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Docosanoic acid (Behenic acid) is a long-chain saturated fatty acid. Docosanoic acid inhibits the double-stranded DNA (dsDNA) binding activity of p53 DNA binding domain, with a Kd of 12 nM. Docosanoic acid has low bioavailability and can increase cholesterol in humans[1][2][3].
CAS Number
112-85-6
Product Name Alternative
Behenic acid
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
DNA/RNA Synthesis; Endogenous Metabolite
Type
Natural Products
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Docosanoic_acid.html
Purity
99.40
Solubility
DMF : 9.09 mg/mL (ultrasonic; warming; heat to 60°C) |DMSO : 1 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : < 0.1 mg/mL
Smiles
CCCCCCCCCCCCCCCCCCCCCC(O)=O
Molecular Formula
C22H44O2
Molecular Weight
340.59
Precautions
H302, H315, H319, H335
References & Citations
[1]Cater NB, et al. Behenic acid is a cholesterol-raising saturated fatty acid in humans. Am J Clin Nutr. 2001 Jan;73 (1) :41-4.|[2]Moreira DK, et al. Evaluation of structured lipids with behenic acid in the prevention of obesity. Food Res Int. 2017 May;95:52-58. |[3]Iijima H, et al. The inhibitory action of long-chain fatty acids on the DNA binding activity of p53. Lipids. 2006 Jun;41 (6) :521-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Docosanoic Acid

Docosanoic acid is a straight-chain, C22, long-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a behenate.

CAS Number112-85-6
PubChem CID8215
IUPAC Namedocosanoic acid
Molecular FormulaC22H44O2
Molecular Weight340.6
XLogP9.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Heavy Atom Count24
Formal Charge0
Complexity250
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey
UKMSUNONTOPOIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Docosanoic Acid
CAS: 112-85-6
CID: 8215
Formula: C22H44O2
MW: 340.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.6
XLogP39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Exact Mass340.334130642
Monoisotopic Mass340.334130642
Topological Polar Surface Area37.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity250
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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