Methyl elaidolinolenate
PubChem CID: 5367462
Connections displayed (default: 10).
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| Compound Synonyms | Methyl elaidolinolenate, 14202-25-6, KP5Q9IL45P, 9,12,15-Octadecatrienoic acid, methyl ester, linolenelaidic acid methyl ester, methyl (9E,12E,15E)-octadeca-9,12,15-trienoate, Elaidolinolenic acid, methyl ester, Methyl all-trans-9,12,15-octadecatrienoate, Methyl 9,12,15-octadecatrienoate, UNII-KP5Q9IL45P, Methyl 9E,12E,15E-octadecatrienoate, 9,12,15-Octadecatrienoic acid, methyl ester, (9E,12E,15E)-, Linolenic acid methyl ester, 9,12,15-Octadecatrienoicacid, methyl ester, SCHEMBL2984579, SCHEMBL5485777, DVWSXZIHSUZZKJ-JSIPCRQOSA-N, DTXSID401267378, methyl-9,12,15-octadecatrienoate, Methyl (9E,12E,15E)-9,12,15-octadecatrienoate #, Q27282361, trans,trans,trans-octadeca-9,12,15-trienoic acid methyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (9E,12E,15E)-octadeca-9,12,15-trienoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C19H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVWSXZIHSUZZKJ-JSIPCRQOSA-N |
| Fcsp3 | 0.631578947368421 |
| Logs | -5.592 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.68 |
| Compound Name | Methyl elaidolinolenate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 292.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.6919705999999985 |
| Inchi | InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4+,8-7+,11-10+ |
| Smiles | CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lycopus Lucidus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all