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Dodecanoylcarnitine

CAT: 0804-HY-113166-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113166-01Size:5 mg
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Description
Dodecanoylcarnitine is present in fatty acid oxidation disorders such as long-chain acyl CoA dehydrogenase deficiency, carnitine palmitoyltransferase I/II deficiency, and is also associated with celiac disease. Dodecanoylcarnitine deomonstrates high sensitivities and specificities in predicting asthma[1][2].
CAS Number
25518-54-1
Product Name Alternative
(-) -Lauroylcarnitine
UNSPSC
12352211
Hazard Statement
H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Dodecanoylcarnitine.html
Purity
99.75
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
CCCCCCCCCCCC(O[C@H](CC([O-])=O)C[N+](C)(C)C)=O
Molecular Formula
C19H37NO4
Molecular Weight
343.50
Precautions
H315, H319, H335
References & Citations
[1]Shigematsu Y, et al. Selective screening for fatty acid oxidation disorders by tandem mass spectrometry: difficulties in practical discrimination. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Jul 15;792 (1) :63-72.|[2]Zhu, T., et al., (2024) . Serum Metabolomics Reveals Metabolomic Profile and Potential Biomarkers in Asthma. Allergy, asthma & immunology research, 16 (3), 235–252.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Lauroyllevocarnitine

O-lauroyl-L-carnitine is an O-acyl-L-carnitine in which the acyl group is specified as lauroyl (dodecanoyl). It is a saturated fatty acyl-L-carnitine, a medium-chain fatty acyl-L-carnitine, an O-dodecanoylcarnitine and a dodecanoate ester.

CAS Number25518-54-1
PubChem CID168381
IUPAC Name(3R)-3-dodecanoyloxy-4-(trimethylazaniumyl)butanoate
Molecular FormulaC19H37NO4
Molecular Weight343.5
XLogP5.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity344
SMILES
CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1
InChIKey
FUJLYHJROOYKRA-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Lauroyllevocarnitine
CAS: 25518-54-1
CID: 168381
Formula: C19H37NO4
MW: 343.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.5
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass343.27225866
Monoisotopic Mass343.27225866
Topological Polar Surface Area66.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes