1,2-Dilinoleoyl-3-olein
PubChem CID: 9544291
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| Compound Synonyms | 1,2-Dilinoleoyl-3-oleoyl-rac-glycerol, 2190-21-8, 1,2-Dilinoleoyl-3-olein, 1-Oleo-2,3-dilinolein, 2,3-Dilinoleo-1-olein, 3-Oleo-1,2-dilinolein, CKD0SUX495, Linolein, 3-oleo-1,2-di-, Glyceryl 2,3-dilinoleate-1-oleate, UNII-CKD0SUX495, 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (Z)-octadec-9-enoate, 9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-(1-((((9Z)-1-oxo-9-octadecen-1-yl)oxy)methyl)-1,2-ethanediyl) ester, 9,12-Octadecadienoic acid (9Z,12Z)-, 1-((((9Z)-1-oxo-9-octadecenyl)oxy)methyl)-1,2-ethanediyl ester, 9,12-Octadecadienoic acid (Z,Z)-, 1-(((1-oxo-9-octadecenyl)oxy)methyl)-1,2-ethanediyl ester, (Z)-, TG 18:1_18:2_18:2, 1,2-dilinoleoyl-3-oleoylglycerol, 1,2-Linolein-3-Olein, SCHEMBL2631388, (9Z,9'Z,12Z,12'Z)-3-(Oleoyloxy)propane-1,2-diyl bis(octadeca-9,12-dienoate), VVEBTVMJPTZDHO-WECKWCTPSA-N, DTXSID001287930, FD22152, HY-W010663, PD069742, 1 pound not2-Dilinoleoyl-3-oleoyl-rac-glycerol, 1,2-Dilinoleoyl-3-oleoyl-rac-glycerol, >=98%, 1,2-Dilinoleoyl-3-oleoyl-rac-glycerol, analytical standard |
|---|---|
| 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 | CCCCCCCC/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 | 1150.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (Z)-octadec-9-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 21.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C57H100O6 |
| Inchi Key | VVEBTVMJPTZDHO-WECKWCTPSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 51.0 |
| Synonyms | oleo-dilinolein, oleodilinolein |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 1,2-Dilinoleoyl-3-olein |
| Exact Mass | 880.752 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 880.752 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 881.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 5.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C57H100O6/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/h16,18-19,21,25-30,54H,4-15,17,20,22-24,31-53H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 5.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Reference:ISBN:9788172361792 - 2. Outgoing r'ship
FOUND_INto/from Entada Rheedii (Plant) Rel Props:Reference:ISBN:9788185042084 - 3. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Reference:ISBN:9788172361792 - 4. Outgoing r'ship
FOUND_INto/from Pinus Gerardiana (Plant) Rel Props:Reference:ISBN:9788190595216 - 5. Outgoing r'ship
FOUND_INto/from Solanum Anguivi (Plant) Rel Props:Reference:ISBN:9788171360536