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Elaidic acid (sodium)

CAT: 0804-HY-166096Size: 1 EachDry Ice: NoHazardous: No
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Description
Elaidic acid (sodium) is an ester product.
CAS Number
18175-45-6
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/elaidic-acid-sodium.html
Smiles
CCCCCCCC/C=C/CCCCCCCC(O[Na])=O
Molecular Formula
C18H33NaO2
Molecular Weight
304.44
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sodium elaidate
CAS Number18175-45-6
PubChem CID23676148
IUPAC Namesodium (E)-octadec-9-enoate
Molecular FormulaC18H33NaO2
Molecular Weight304.4
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity239
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9+;
InChIKey
BCKXLBQYZLBQEK-RRABGKBLSA-M
Chemical Structure
2D Structure
2D structure of Sodium elaidate
CAS: 18175-45-6
CID: 23676148
Formula: C18H33NaO2
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass304.23782457
Monoisotopic Mass304.23782457
Topological Polar Surface Area40.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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