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Palmitoleic acid-d13

CAT: 0804-HY-W011873S1Size: 1 mg (37.38 mM x 100 μL in Ethanol)Dry Ice: NoHazardous: No
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CAT#:0804-HY-W011873S1Size:1 mg (37.38 mM x 100 μL in Ethanol)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Palmitoleic acid-d13 is the deuterium labeled Palmitoleic acid. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.
CAS Number
2692623-92-8
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Concentration
37.38 mM * 100 μL in Ethanol
Purity
99.90
Solubility
10 mM in DMSO
Smiles
[2H]C(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])([2H])/C=C\CCCCCCCC(O)=O
Molecular Formula
C16H17D13O2
Molecular Weight
267.49
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Ogunleye A, et al. Fatty acid composition of breast milk from Nigerian and Japanese women. J Nutr Sci Vitaminol (Tokyo) . 1991 Aug;37 (4) :435-42.|[3]Yamori Y, et al. Dietary prevention of stroke and its mechanisms in stroke-prone spontaneously hypertensive rats--preventive effect of dietary fibre and palmitoleic acid. J Hypertens Suppl. 1986 Oct;4 (3) :S449-52.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Palmitoleic acid-d13
CAS Number2692623-92-8
PubChem CID162642326
IUPAC Name(Z)-11,11,12,12,13,13,14,14,15,15,16,16,16-tridecadeuteriohexadec-9-enoic acid
Molecular FormulaC16H30O2
Molecular Weight267.49
XLogP6.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity209
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-/i1D3,2D2,3D2,4D2,5D2,6D2
InChIKey
SECPZKHBENQXJG-HXOMZKPWSA-N
Chemical Structure
2D Structure
2D structure of Palmitoleic acid-d13
CAS: 2692623-92-8
CID: 162642326
Formula: C16H30O2
MW: 267.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.49
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass267.306177893
Monoisotopic Mass267.306177893
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity209
Isotope Atom Count13
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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