Pentadeca-2,4-dienoic acid
PubChem CID: 54493784
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Description | Pentadecadienoic acid is also known as pentadecadienoate. Pentadecadienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pentadecadienoic acid can be found in black walnut, which makes pentadecadienoic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadeca-2,4-dienoic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 6.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C15H26O2 |
| Inchi Key | XXQINHWMBIXTGY-UHFFFAOYSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | Pentadeca-2,4-dienoate, Pentadecadienoate |
| Compound Name | Pentadeca-2,4-dienoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h11-14H,2-10H2,1H3,(H,16,17) |
| Smiles | CCCCCCCCCCC=CC=CC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:fooddb_chem_all