Linoleate
PubChem CID: 5460332
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Linoleate, (9Z,12Z)-octadeca-9,12-dienoate, Linoleic acid, ion(1-), 1509-85-9, cis,cis-9,12-octadecadienoate, cis,cis-linoleate, CHEMBL3122088, 9 trans,12 trans Octadecadienoic Acid, 9,12-Octadecadienoic acid (Z,Z)-, ion(1-), (9Z,12Z)-octadecadienoate, CHEBI:30245, OYHQOLUKZRVURQ-HZJYTTRNSA-M, cis-Delta(9,12)-octadecadienoate, DTXSID901268721, BDBM50448435, (Z,Z)-9,12-octadecadienoic acid, ion(1-), (9Z,12Z)-9,12-Octadecadienoic acid ion(1-), (9Z,12Z)-9,12-octadecadienoic acid, ion(1-), 9,12-Octadecadienoic acid (9Z,12Z)-, ion(1-), Q27104117 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C18H31O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYHQOLUKZRVURQ-HZJYTTRNSA-M |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.192 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.411 |
| Compound Name | Linoleate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.232 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 279.232 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.701152799999999 |
| Inchi | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients