7-Octadecenoic acid
PubChem CID: 5282756
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| Compound Synonyms | 7-Octadecenoic acid, 7E-octadecenoic acid, (E)-octadec-7-enoic acid, (E)-7-Octadecenoic acid, C18:1n-11, 14122-42-0, SCHEMBL561609, CHEBI:196195, LMFA01030069 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | 7-octadecenoic acid 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. Thus, 7-octadecenoic acid is considered to be a fatty acid lipid molecule. 7-octadecenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7-octadecenoic acid can be found in dill, which makes 7-octadecenoic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-octadec-7-enoic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 6.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C18H34O2 |
| Inchi Key | RVUCYJXFCAVHNC-VAWYXSNFSA-N |
| Rotatable Bond Count | 15.0 |
| Synonyms | 7-Octadecenoate, trans-7-Octadecenoate |
| Compound Name | 7-Octadecenoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 282.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.5 |
| 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/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11+ |
| Smiles | CCCCCCCCCC/C=C/CCCCCC(=O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all