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Palmitoleic acid-d14

CAT: 0804-HY-W011873SSize: 100 μg (3.72 mM x 100 μL in Ethanol)Dry Ice: NoHazardous: No
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CAT#:0804-HY-W011873SSize:100 μg (3.72 mM x 100 μL in Ethanol)
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Description
Palmitoleic acid-d14 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
184708-66-5
UNSPSC
12352211
Hazard Statement
H225, H319
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Neurological Disease
Concentration
3.72 mM * 100 μL in Ethanol
Purity
99.6
Solubility
10 mM in DMSO
Smiles
CCCCCC/C=C\C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
Molecular Formula
C16H16D14O2
Molecular Weight
268.49
Precautions
H225, H319
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-d14
CAS Number184708-66-5
PubChem CID10588002
IUPAC Name(Z)-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecadeuteriohexadec-9-enoic acid
Molecular FormulaC16H30O2
Molecular Weight268.49
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])(/C=C\CCCCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=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-/i9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChIKey
SECPZKHBENQXJG-VXXNRCPDSA-N
Chemical Structure
2D Structure
2D structure of Palmitoleic Acid-d14
CAS: 184708-66-5
CID: 10588002
Formula: C16H30O2
MW: 268.49
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.49
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass268.312454639
Monoisotopic Mass268.312454639
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity209
Isotope Atom Count14
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes