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Hexadecanoate-13C16 (potassium)

CAT: 0804-HY-W134007S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W134007S1-01Size:1 mg
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Description
Hexadecanoate-13C16 (potassium) is the 13C-labeled Hexadecanoate sodium. Hexadecanoate potassium can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer binding protein homologous protein (CHOP) in in mouse granulosa cells[1][2].
CAS Number
1458714-74-3
UNSPSC
12352211
Target
HSP; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Metabolic Disease; Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/hexadecanoate-13c16-potassium.html
Purity
98.40
Solubility
Ethanol : 10 mg/mL (ultrasonic)
Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O[K])=O
Molecular Formula
13C16H31KO2
Molecular Weight
310.40
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, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
HSP70

Chemical Information

Hexadecanoate-13C16 (potassium)
CAS Number1458714-74-3
PubChem CID71309095
IUPAC Namepotassium (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadecanoate
Molecular FormulaC16H31KO2
Molecular Weight310.40
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity184
SMILES
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)[O-].[K+]
InChI
InChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1/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
MQOCIYICOGDBSG-SJIUKAAASA-M
Chemical Structure
2D Structure
2D structure of Hexadecanoate-13C16 (potassium)
CAS: 1458714-74-3
CID: 71309095
Formula: C16H31KO2
MW: 310.40
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.40
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass310.24978908
Monoisotopic Mass310.24978908
Topological Polar Surface Area40.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity184
Isotope Atom Count16
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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