2,4,6-Hexadecatrienoic acid
PubChem CID: 182096
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| Compound Synonyms | 2,4,6-Hexadecatrienoic acid, 70017-79-7, hexadecatrienic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Description | Hexadecatrienoic acid, also known as hexadecatrienoate, 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. Hexadecatrienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexadecatrienoic acid can be found in spinach, which makes hexadecatrienoic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadeca-2,4,6-trienoic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 6.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C16H26O2 |
| Inchi Key | SZQQHKQCCBDXCG-UHFFFAOYSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | Hexadeca-2,4,6-trienoate, Hexadecatrienoate |
| Compound Name | 2,4,6-Hexadecatrienoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 250.193 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 250.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 250.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-15H,2-9H2,1H3,(H,17,18) |
| Smiles | CCCCCCCCCC=CC=CC=CC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all