(Z,E,E)-octadeca-9,11,13-trienoic acid
PubChem CID: 25244346
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | alpha-ELA, 9c,11t,13t-CLnA, c9,t11,t13-CLnA, c9,t11,t13-linolenic acid, 9c11t13t-18:3, 9cis,11trans,13trans-octadecatrienoic acid, (Z,E,E)-octadeca-9,11,13-trienoic acid, 9-cis,11-trans,13-trans-octadecatrienoic acid, alpha-eleostearate, (9Z,11E,13E)-octadecatrienoate, (9Z,11E,13E)-octadecatri-9,11,13-enoate, (9Z,11E,13E)-octadecatri-9,11,13-enoic acid |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z,11E,13E)-octadeca-9,11,13-trienoate |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Molecular Formula | C18H29O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUXYLFPMQMFGPL-WPOADVJFSA-M |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.689 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.917 |
| Compound Name | (Z,E,E)-octadeca-9,11,13-trienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.217 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 277.217 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 277.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.634953599999999 |
| Inchi | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/p-1/b6-5+,8-7+,10-9- |
| Smiles | CCCC/C=C/C=C/C=C\CCCCCCCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients