1,2-Dioleoyl-3-linolein
PubChem CID: 9544252
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| Compound Synonyms | 1,2-Dioleoyl-3-linoleoyl-rac-glycerol, 2190-20-7, 1,2-Dioleoyl-3-linolein, 1-Linoleo-2,3-diolein, 2,3-Dioleo-1-linolein, 3-Linoleo-1,2-diolein, Linolein, 2,3-dioleo-1-, Olein, 3-linoleo-1,2-di-, 9790LE118Y, UNII-9790LE118Y, 9,12-Octadecadienoic acid (9Z,12Z)-, 2,3-bis(((9Z)-1-oxo-9-octadecen-1-yl)oxy)propyl ester, 9,12-Octadecadienoic acid (9Z,12Z)-, 2,3-bis(((9Z)-1-oxo-9-octadecenyl)oxy)propyl ester, 9,12-Octadecadienoic acid (Z,Z)-, 2,3-bis((1-oxo-9-octadecenyl)oxy)propyl ester, (Z,Z)-, [3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate, 1,2-Dioleoyl-3-linoleoyl-rac-glycerol (>90%), TG 18:1_18:1_18:2, 1 2-DIOLEOYL-3-LINOLEOYL-RAC-GLYCEROL (C, SCHEMBL2733891, JTMWOTXEVWLTTO-KTKRTRQNSA-N, 1,2-dioleoyl-3-linoleoyl-glycerol, HY-N7953, BP-29823, PD094837, CS-0138874, 1 pound not2-Dioleoyl-3-linoleoyl-rac-glycerol, 3-(((9Z,12Z)-Octadeca-9,12-dienoyl)oxy)propane-1,2-diyl dioleate |
|---|---|
| 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=CCCCCCCCC |
| Heavy Atom Count | 63.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Triradylcglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1110.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 21.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C57H102O6 |
| Inchi Key | JTMWOTXEVWLTTO-KTKRTRQNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 52.0 |
| Synonyms | dioleolinolein |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 1,2-Dioleoyl-3-linolein |
| Exact Mass | 882.768 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 882.768 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 883.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 4.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C57H102O6/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/h16,19,25-30,54H,4-15,17-18,20-24,31-53H2,1-3H3/b19-16-,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\CCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 4.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Reference:ISBN:9788190595216 - 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