Linoelaidic Acid
PubChem CID: 5282457
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| Compound Synonyms | Linoelaidic acid, (9E,12E)-octadeca-9,12-dienoic acid, 506-21-8, LINOLELAIDIC ACID, 9E,12E-octadecadienoic acid, trans-9,trans-12-Octadecadienoic acid, Linelaidic acid, CHEBI:75108, 9,12-Octadecadienoic acid, (9E,12E)-, trans-9,trans-12-Linoleic acid, trans,trans-9,12-Octadecadienoic Acid, (9E,12E)-9,12-Octadecadienoic acid, 18:2, n-6,9 all-trans, C18:2, n-6,9 all-trans, TRANS,TRANS-LINOLEIC ACID, DTXSID50897508, 7552P0K6PN, TRANS-9-TRANS-12-LINOLEIC ACID, TRANS-.DELTA.9,12-OCTADECADIENOIC ACID, C18:2n-6,9, CCRIS 652, GrapeSeedOil, UNII-7552P0K6PN, 9,12-Octadecadienoic acid, (E,E)-, AI3-36448, 9,12-Octadecadienoic-1-13C acid, (Z,Z)-, Linolsaure, 8024-22-4, 9 trans,12 trans Octadecadienoic Acid, Linolelaidic acid 10 microg/mL in Methanol, 9E,12E-octadecadienoate, CHEMBL93204, SCHEMBL120856, Linoleic Acid, (E,E)-Isomer, SCHEMBL18133791, CHEBI:92157, DTXCID10196908, HMS3649F11, 2420-42-0, (9E,12E)-9,12-Octadecadienoate, BBL027461, LMFA01030123, STK801960, Linolelaidic acid, analytical standard, AKOS015892939, 9-trans,12-trans-Octadecadienoic Acid, (9E,12E)-octadeca-9,12-dienoicacid, NCGC00344326-02, LS-14679, VS-08542, NS00077070, TRANS-DELTA9,12-OCTADECADIENOIC ACID, D75304, EN300-378340, EN300-6497943, L001067, SR-01000946651, Q2823277, SR-01000946651-1 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Linoelaidic acid is an isomer of linoleic acid, or conjugated linoleic acid (CLA), a derivative of a fatty acid linoleic acid. Conjugated linoleic acid (CLA) isomers, a group of positional and geometric isomers of linoleic acid [18:2(n-6)], have been studied extensively due to their ability to modulate cancer, atherosclerosis, obesity, immune function and diabetes in a variety of experimental models. CLA's ability to modulate human obesity remains controversial because data from clinical trials using mixed isomers are conflicting. (PMID 10759137) Trans fatty acids are characteristically produced during industrial hydrogenation of plant oils. [HMDB]. Linoelaidic acid is found in green zucchini, green bell pepper, and red bell pepper. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E,12E)-octadeca-9,12-dienoic acid |
| Prediction Hob | 1.0 |
| Class | Lineolic acids and derivatives |
| Xlogp | 6.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C18H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYHQOLUKZRVURQ-AVQMFFATSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -4.135 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 4.09 |
| Synonyms | (9E,12E)-9,12-Octadecadienoate, (9E,12E)-9,12-Octadecadienoic acid, 18:2, N-6,9 all-trans, 9E,12E-octadecadienoate, 9E,12E-octadecadienoic acid, C18:2, N-6,9 all-trans, trans-9,trans-12-Linoleate, trans-9,trans-12-Linoleic acid, 9E,12E-Octadecadienoic acid, 9E,12E-Octadecadienoate, Linoelaidate, 9,12-Octadecadienoic acid, Linoleic acid, Linoleic acid, (Z,Z)-isomer, 14C-labeled, Linolelaidic acid, cis,cis-9,12-Octadecadienoic acid, Linoleic acid, (e,e)-isomer, Linoleic acid, (Z,Z)-isomer, Linoleic acid, ammonium salt, (Z,Z)-isomer, Linoleic acid, potassium salt, (Z,Z)-isomer, Linoelaidic acid, (e,Z)-isomer, 9 trans,12 trans Octadecadienoic acid, Linoleic acid, sodium salt, (e,e)-isomer, Linoleic acid, sodium salt, (Z,Z)-isomer, Acid, 9,12-octadecadienoic, trans,trans-9,12-Octadecadienoic acid, Linoleic acid, (Z,e)-isomer, 9,12 Octadecadienoic acid, Linoleic acid, calcium salt, (Z,Z)-isomer, 9-trans,12-trans-Octadecadienoic acid, Linoleate |
| Substituent Name | Octadecanoid, Long-chain fatty acid, Fatty acyl, Fatty acid, Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Linoelaidic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -5.052202399999999 |
| 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)/b7-6+,10-9+ |
| Smiles | CCCCC/C=C/C/C=C/CCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Descurainia Sophia (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Taraxacum Borealisinense (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Taraxacum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients - 31. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 32. Outgoing r'ship
FOUND_INto/from Taraxacum Platycarpum (Plant) Rel Props:Source_db:cmaup_ingredients - 33. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients - 34. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients