Heptadecadienic acid
PubChem CID: 54355075
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | heptadecadienic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Description | Heptadecadienoic acid is also known as heptadecadienoate. Heptadecadienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Heptadecadienoic acid can be found in black walnut and dandelion, which makes heptadecadienoic acid a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 254.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadeca-2,4-dienoic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 7.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C17H30O2 |
| Inchi Key | UINYXDFNICMOQJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | Heptadeca-2,4-dienoate, Heptadecadienoate |
| Compound Name | Heptadecadienic acid |
| Kingdom | Organic compounds |
| Exact Mass | 266.225 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 266.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.4 |
| 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/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h13-16H,2-12H2,1H3,(H,18,19) |
| Smiles | CCCCCCCCCCCCC=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 - 2. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all