Isooleic acid
PubChem CID: 5282760
Connections displayed (default: 10).
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| Compound Synonyms | Isooleic acid, trans-10-octadecenoic acid, (E)-octadec-10-enoic acid, (10E)-10-Octadecenoic acid, 10-Octadecenoic acid, (E)-10-Octadecenoic acid, 3386-63-8, 5684-82-2, 10-Octadecenoic acid, (10E)-, 10E-octadecenoic acid, 10-Octadecenoic acid, trans-, 10-Octadecenoic acid, (E)-, LWW9I5EN2C, (10E)-octadec-10-enoic acid, DTXSID301009339, C18:1n-8, UNII-LWW9I5EN2C, starbld0016053, (10E)-octadecenoic acid, SCHEMBL1427790, DTXCID90909492, CHEBI:194454, QXJSBBXBKPUZAA-CMDGGOBGSA-N, LMFA01030075, STL268856, AKOS016358002, LS-14686, Q27283225 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | 10-octadecenoic acid, also known as isooleic 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, 10-octadecenoic acid is considered to be a fatty acid lipid molecule. 10-octadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10-octadecenoic acid can be found in peanut, which makes 10-octadecenoic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-octadec-10-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C18H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXJSBBXBKPUZAA-CMDGGOBGSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -4.628 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.794 |
| Synonyms | Isooleic acid |
| Compound Name | Isooleic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| 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 |
| Esol | -6.082351999999999 |
| Inchi | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/b9-8+ |
| Smiles | CCCCCCC/C=C/CCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Astragalus Pterocarpus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Gnaphalium Gaudichaudianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Rumex Dentatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sanguinaria Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Sphaeranthus Africanus (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Uncaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Vitex Glabrata (Plant) Rel Props:Source_db:npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Woodfordia Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all