Tetradecenoicacid
PubChem CID: 162384
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| Compound Synonyms | 39525-69-4, tetradecenic acid, TETRADECENOICACID, DTXSID60181041, IBYFOBGPNPINBU-UHFFFAOYSA-N, DTXSID901315114, PBA52569, DB-257051, NS00057574 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCC=CC=O)O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Description | Tetradecenoic acid, also known as 14:1, n-12 or 2-tetradecensaeure, 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. Tetradecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tetradecenoic acid can be found in black walnut, carrot, and wild carrot, which makes tetradecenoic acid a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradec-2-enoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O2 |
| Inchi Key | IBYFOBGPNPINBU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 1-(9,10-ethanoanthracen-9(10H)-yl)-N-methylmethanamine, 9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl-, 9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl- (9CI), Benzoctamina, Benzoctamine, Benzoctamine [inn:ban], Benzoctaminum, Benzoktamina, Ethanoanthracene-9(10H)-methylamine, N-methyl-, 14:1, N-12, 2-Tetradecensaeure, Acide 2-tetradecenoique, Acido 2-tetradecanoico, C14:1, N-12, Omega12-myristoleic acid, Tetradec-2-ensaeure, Omega12-myristoleate, 2-Tetradecenoate, 2-Tetradecenoic acid, (e)-isomer, Tetradecenoate, tetradecenoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC=CC(=O)O |
| Compound Name | Tetradecenoicacid |
| Kingdom | Organic compounds |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16) |
| Smiles | CCCCCCCCCCCC=CC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Areca Catechu (Plant) Rel Props:Reference:ISBN:9788172362140 - 2. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Reference:ISBN:9770972795006 - 5. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Reference:ISBN:9788185042145