Eicosadienic acid
PubChem CID: 11483665
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| Compound Synonyms | Eicosadienic acid, SCHEMBL20704, Q27160553 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | LNAVIIOBBICBIS-NBRVCOCJSA-N |
| Rotatable Bond Count | 16.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | Eicosadienic acid |
| Description | Dihomo-linoleate (20:2n6) is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Dihomo-linoleate (20:2n6) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Dihomo-linoleate (20:2n6) can be found in black walnut, which makes dihomo-linoleate (20:2n6) a potential biomarker for the consumption of this food product. Dihomo-linoleate (20:2n6) can be found primarily in blood and saliva. |
| Exact Mass | 308.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.272 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-icosa-2,4-dienoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)/b17-16+,19-18+ |
| Smiles | CCCCCCCCCCCCCCC/C=C/C=C/C(=O)O |
| Xlogp | 8.7 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C20H36O2 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:fooddb_chem_all