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Palmitoleic acid-13C16

CAT: 0804-HY-W011873S2Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011873S2Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Palmitoleic acid-13C16 is the 13C 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
2483735-57-3
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/palmitoleic-acid-13c16.html
Purity
99.20
Solubility
DMSO : 100 mg/mL (ultrasonic; warming)
Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O
Molecular Formula
13C16H30O2
Molecular Weight
270.29
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(9Z)-9-Hexadecenoic-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16 acid
CAS Number2483735-57-3
PubChem CID87229078
IUPAC Name(Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadec-9-enoic acid
Molecular FormulaC16H30O2
Molecular Weight270.29
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
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=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-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1
InChIKey
SECPZKHBENQXJG-TXLJUQNKSA-N
Chemical Structure
2D Structure
2D structure of (9Z)-9-Hexadecenoic-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16 acid
CAS: 2483735-57-3
CID: 87229078
Formula: C16H30O2
MW: 270.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.29
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass270.27825756
Monoisotopic Mass270.27825756
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity209
Isotope Atom Count16
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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