Oleate
PubChem CID: 5460221
Connections displayed (default: 10).
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| Compound Synonyms | oleate, (Z)-octadec-9-enoate, (9Z)-octadec-9-enoate, 115-06-0, (9Z)-Octadecenoate, cis-9-octadecenoate, 9 Octadecenoic Acid, CHEMBL3122151, Oleat, oleic acid anion, 9-Octadecenoic acid (Z)-, ion(1-), (Z)-9-Octadecenoate, octadecenoate (n-C18:1), CHEBI:30823, DTXSID701027701, BDBM50448437, STL356026, (Z)-9-octadecenoic acid, ion(1-), AKOS022060681, Q27104153 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-octadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C18H33O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZQPPMHVWECSIRJ-KTKRTIGZSA-M |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.308 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.447 |
| Compound Name | Oleate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.248 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 281.248 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 281.5 |
| 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/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Phellodendron Chinese (Plant) Rel Props:Source_db:cmaup_ingredients