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Linoleic acid-13C18

CAT: 0804-HY-N0729S2-01Size: 500 µgDry Ice: YesHazardous: No
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CAT#:0804-HY-N0729S2-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Linoleic acid-13C18 is the 13C labeled Linoleic acid. Linoleic acid is a common polyunsaturated (PUFA) found in plant-based oils, nuts and seeds. Linoleic acid is a part of membrane phospholipids, and functions as a structural component to maintain a certain level of membrane fluidity of the transdermal water barrier of the epidermis. Linoleic acid induces red blood cells and hemoglobin damage via oxidative mechanism [1][2].
CAS Number
287111-25-5
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/linoleic-acid-13c18.html
Purity
99.10
Solubility
0.1 M NaOH : 8.33 mg/mL (ultrasonic; warming; adjust pH to 11 with NaOH)
Smiles
O[13C]([13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH3])=O
Molecular Formula
13C18H32O2
Molecular Weight
298.31
Precautions
H302, H315, H319, H335
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
Dry Ice
Storage Conditions
-80°C, protect from light, stored under nitrogen
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Linoleic acid-13C18
CAS Number287111-25-5
PubChem CID87229035
IUPAC Name(9Z,12Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadeca-9,12-dienoic acid
Molecular FormulaC18H32O2
Molecular Weight298.31
XLogP6.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity267
SMILES
[13CH3][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-/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+1,17+1,18+1
InChIKey
OYHQOLUKZRVURQ-AZEGGMGZSA-N
Chemical Structure
2D Structure
2D structure of Linoleic acid-13C18
CAS: 287111-25-5
CID: 87229035
Formula: C18H32O2
MW: 298.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.31
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass298.30061730
Monoisotopic Mass298.30061730
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity267
Isotope Atom Count18
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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