Docos-15-enoic acid
PubChem CID: 53440328
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| Compound Synonyms | KPGGPQIHJCHVLZ-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Description | 15-docosenoic acid is a member of the class of compounds known as very long-chain fatty acids. Very long-chain fatty acids are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. 15-docosenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 15-docosenoic acid can be found in peanut, which makes 15-docosenoic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | docos-15-enoic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 8.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C22H42O2 |
| Inchi Key | KPGGPQIHJCHVLZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 19.0 |
| Synonyms | Docos-15-enoate, 15-Docosenoate |
| Compound Name | Docos-15-enoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 338.318 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 338.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 338.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h7-8H,2-6,9-21H2,1H3,(H,23,24) |
| Smiles | CCCCCCC=CCCCCCCCCCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Very long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all