9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-
PubChem CID: 9316
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| Compound Synonyms | methyl octadeca-9,12,15-trienoate, 7361-80-0, 9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-, Linolenic acid methyl ester, 9,12,15-Octadecatrienoicacid, methyl ester, alfa-Methyl linolenate, Methyl cis,cis,cis-9,12,15-octadecatrienoate, DTXSID00859313, AKOS028109386, NCI60_004707, (9Z,12Z,15Z)-methyl octadeca-9,12,15-trienoate |
|---|---|
| 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;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl octadeca-9,12,15-trienoate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 6.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C19H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVWSXZIHSUZZKJ-UHFFFAOYSA-N |
| Fcsp3 | 0.631578947368421 |
| Logs | -5.994 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.721 |
| Synonyms | Methyl octadeca-9,12,15-trienoic acid |
| Compound Name | 9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)- |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| 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 |
| Smiles | CCC=CCC=CCC=CCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Corsicus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Crocus Minimus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Crocus Sieberi (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Daucus Sativus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Reference: