MAGNESIUM LINOLEATE
General Information
| Mainterm | MAGNESIUM LINOLEATE |
| CAS Reg.No.(or other ID) | 5460-94-6 |
| Regnum |
175.300 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 54611860 |
| IUPAC Name | magnesium;(9Z,12Z)-octadeca-9,12-dienoic acid |
| InChI | InChI=1S/C18H32O2.Mg/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);/q;+2/b7-6-,10-9-; |
| InChI Key | POGKENLOISLRIE-NBTZWHCOSA-N |
| Canonical SMILES | CCCCCC=CCC=CCCCCCCCC(=O)O.[Mg+2] |
| Molecular Formula | C18H32MgO2+2 |
| Wikipedia | magnesium linoleate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 304.757 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 14 |
| Complexity | 267.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 4 M A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A C A C A g A A C C A A A A g C I A C D S C A A A A A A g A A A I C A E A A A g A A B I A A Q A A Q A A E g A A I A A O I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 37.3 |
| Monoisotopic Mass | 304.225 |
| Exact Mass | 304.225 |
| Compound Is Canonicalized | True |
| Formal Charge | 2 |
| Heavy Atom Count | 21 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Lineolic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lineolic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Octadecanoid - Long-chain fatty acid - Fatty acid - Unsaturated fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
From ClassyFire