Dieicosanoin

CAT: 0804-HY-W004260BSize: 1 EachDry Ice: NoHazardous: No

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CAT#:0804-HY-W004260BSize:1 Each

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Description

Dieicosanoin is a diacylglycerol containing arachidic acid. Arachidic acid is a saturated long-chain fatty acid with a 20-carbon backbone. Arachidic acid can be isolated from peanut butter and anaerobic fungi[1][2].

CAS Number

60586-60-9

Product Name Alternative

Glycerol diarachidate

UNSPSC

12352211

Target

Biochemical Assay Reagents; Endogenous Metabolite

Type

Natural Products

Related Pathways

Metabolic Enzyme/Protease; Others

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/dieicosanoin.html

Solubility

10 mM in DMSO

Smiles

OC(COC(CCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCC)=O

Molecular Formula

C43H84O5 (Monomer)

Molecular Weight

681.12 (Monomer)

References & Citations

[1]Koppová I, et al. Analysis of fatty acid composition of anaerobic rumen fungi. Folia Microbiol (Praha) . 2008;53 (3) :217-20. |[2]Negoita M, et al. Comparison of the Fatty Acid Composition of Peanut Butter by Applying Different Fat Extraction Procedures. Revista de chimie. 2018, 69 (11) : 3023-3032.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Isoform

Human Endogenous Metabolite

Chemical Information

Eicosanoic acid, 2-hydroxy-1,3-propanediyl ester

CAS Number	60586-60-9
PubChem CID	16041787
IUPAC Name	(2-hydroxy-3-icosanoyloxypropyl) icosanoate
Molecular Formula	C43H84O5
Molecular Weight	681.1
XLogP	18.4
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	42
Heavy Atom Count	48
Formal Charge	0
Complexity	597

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C43H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,44H,3-40H2,1-2H3

InChIKey

VFEKBHKRXKVKGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60586-60-9

CID: 16041787

Formula: C43H84O5

MW: 681.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	681.1
XLogP3	18.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	42
Exact Mass	680.63187578
Monoisotopic Mass	680.63187578
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	597
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T85211-01	Dieicosanoin
MBS392953-01	1,3-Dieicosanoin
MBS392952	1,2-Dieicosanoin

Dieicosanoin

Chemical Information

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