Octadecenoate
PubChem CID: 90658167
Connections displayed (default: 10).
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| Compound Synonyms | octadecenoate, 2Z-octadecenoate, cis-2-octadecenoate, LKOVPWSSZFDYPG-MSUUIHNZSA-M |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | LKOVPWSSZFDYPG-MSUUIHNZSA-M |
| Rotatable Bond Count | 14.0 |
| Synonyms | 8-octadecenoic Acid, cis-8-octadecenoic acid, Octadecenoic acid |
| Heavy Atom Count | 20.0 |
| Compound Name | Octadecenoate |
| Description | Octadecenoic acid is also known as octadecenoate. Octadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Octadecenoic acid can be found in a number of food items such as papaya, potato, black walnut, and borage, which makes octadecenoic acid a potential biomarker for the consumption of these food products. |
| Exact Mass | 281.248 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 281.248 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 281.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-octadec-2-enoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/p-1/b17-16- |
| Smiles | CCCCCCCCCCCCCCC/C=C\C(=O)[O-] |
| Xlogp | 8.7 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C18H33O2- |
- 1. Outgoing r'ship
FOUND_INto/from Borago Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carica Papaya (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 Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all