Trilinolein
PubChem CID: 5322095
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| Compound Synonyms | Trilinolein, 537-40-6, Glycerol trilinoleate, Glyceryl trilinoleate, 1,2,3-Trilinoleoylglycerol, Trilinolelaidin, UNII-V5LJ52OGS7, EINECS 208-666-6, V5LJ52OGS7, CHEBI:75844, EFADERMA-F, 1,2,3-Propanetriol trilinoleate, LINOLEIN, TRI-, Linoleic acid, 1,2,3-propanetriyl ester, TG(18:2/18:2/18:2), 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate, CHEMBL3343985, Trioctadecadienoin, (Z,Z)-9,12-Octadecadienoic acid, 1,2,3-propanetriyl ester, 9,12-Octadecadienoic acid (Z,Z)-, 1,2,3-propanetriyl ester, 1,2,3-Propenetriol tri(9,12-octadecaienoate), TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)), trilinolein C18:2, 9,12-Octadecadienoic acid, 1,2,3-propanetriyl ester, trilinoelaidate, 9,12-Octadecadienoic acid (9Z,12Z)-, 1,2,3-propanetriyl ester, 1,2,3-tri-(9Z,12Z-octadecadienoyl)-glycerol, trilinoleic glycerol, TAG(18:2/18:2/18:2), TG 54:6, 9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER, propane-1,2,3-triyl (9Z,12Z,9'Z,12'Z,9''Z,12''Z)tris-octadeca-9,12-dienoate, Propane-1,2,3-triyl (9Z,9'Z,9''Z,12Z,12'Z,12''Z)-tris(octadeca-9,12-dienoate), Glycerol Tri-9,12-octadecadienoate, linoleoyl triglyceride, Trilinolein (Standard), SCHEMBL114944, 1,2,3-Tri(cis,cis-9,12-octadecadienoyl) Glycerol, DTXSID1042653, MSK2005, Propane-1,2,3-triyl tris((9Z,12Z)-octadeca-9,12-dienoate), LMGL03010371, MFCD00042909, s6125, AKOS040758726, 1ST2005, FG23676, HY-128393R, Tracylglycerol(18:2/18:2/18:2), Triacylglycerol(18:2/18:2/18:2), BP-29845, Glyceryl trilinoleate, analytical standard, HY-128393, CS-0099524, NS00014181, T1388, 1,2,3-tri-(9Z,12Z)-octadecadienoylglycerol, 1,2,3-tri-(9Z,12Z-octadecadienoyl)glycerol, 1-linoleoyl-2-linoleoyl-3-linoleoyl-glycerol, Glyceryl trilinoleate, >=98% (TLC), liquid, TG(18:2omega6/18:2omega6/18:2omega6), Tracylglycerol(18:2n6/18:2n6/18:2n6), Tracylglycerol(18:2w6/18:2w6/18:2w6), T72589, TAG(18:2n6/18:2n6/18:2n6), TAG(18:2w6/18:2w6/18:2w6), 1,2,3-Propenetriol tri(9,12-octadecadienoate), TG(18:2n6/18:2n6/18:2n6), TG(18:2w6/18:2w6/18:2w6), 1,2,3-Tri-(cis,cis-9,12-octadecadienoyl)glycerol, Efaderma F, Glycerin trilinoleate, Glycerol trilinoleate, TG 18:2_18:2_18:2, Tracylglycerol(18:2omega6/18:2omega6/18:2omega6), TG [18:2(omega-6)/18:2(omega-6)/18:2(omega-6)], 2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate #, 208-666-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Triacylglycerols |
| Deep Smiles | CCCCC/C=CC/C=CCCCCCCCC=O)OCCOC=O)CCCCCCC/C=CC/C=CCCCCC))))))))))))))))))))COC=O)CCCCCCC/C=CC/C=CCCCCC |
| Heavy Atom Count | 63.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Triradylcglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1130.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713 |
| Iupac Name | 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 20.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C57H98O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBOQXIRUPVQLKX-BBWANDEASA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.7368421052631579 |
| Logs | 0.223 |
| Rotatable Bond Count | 50.0 |
| Logd | 7.341 |
| Synonyms | linolein, tri-linolein, trilinolein |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | Trilinolein |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 878.736 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 878.736 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 879.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 6.0 |
| Lipinski Rule Of 5 | False |
| Esol | -14.806510999999993 |
| Inchi | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 6.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Leucostomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alnus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Deltoideodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Apollonias Barbujana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aquilegia Ecalcarata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Hanseniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Blumea Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Carthamus Oxyacantha (Plant) Rel Props:Reference:ISBN:9770972795006 - 10. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Reference:ISBN:9788172361792 - 11. Outgoing r'ship
FOUND_INto/from Ceanothus Velutinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Chlorophytum Borivilianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Cynanchum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Dipterocarpus Dyeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Entada Rheedii (Plant) Rel Props:Reference:ISBN:9788185042084 - 17. Outgoing r'ship
FOUND_INto/from Fragaria Vesca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Garcinia Scortechinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Gardenia Tubifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
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FOUND_INto/from Notholaena Aschenborniana (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788185042138 - 31. Outgoing r'ship
FOUND_INto/from Panax Innovans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
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