1,2-Dilinoleoyl-3-palmitin
PubChem CID: 9544106
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| Compound Synonyms | 1,2-Dilinoleoyl-3-palmitoyl-rac-glycerol, 2190-15-0, 1,2-Dilinoleoyl-3-palmitin, 1-Palmito-2,3-dilinolein, 2Y321C08RH, UNII-2Y321C08RH, [3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate, 9,12-Octadecadienoic acid (9Z,12Z)-, 1-(((1-oxohexadecyl)oxy)methyl)-1,2-ethanediyl ester, 9,12-Octadecadienoic acid (Z,Z)-, 1-(((1-oxohexadecyl)oxy)methyl)-1,2-ethanediyl ester, 9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-(1-(((1-oxohexadecyl)oxy)methyl)-1,2-ethanediyl) ester, TG 16:0_18:2_18:2, (9Z,9'Z,12Z,12'Z)-3-(Palmitoyloxy)propane-1,2-diyl bis(octadeca-9,12-dienoate), 1,2-Linolein-3-Palmitin, SCHEMBL2734350, 1,2-dilinoleoyl-3-palmitoylglycerol, HY-W013060, PD069663, PLL, Seasame Oil Related Compound B USP, (Rac)-1,2-Dilinoleoyl-3-palmitoyl-glycerol, 1 pound not2-Dilinoleoyl-3-palmitoyl-rac-glycerol, 1,2-Dilinoleoyl-3-palmitoyl-rac-glycerol, >=95% (TLC), liquid, 9,12-Octadecadienoicacid(9Z,12Z)-,1,1'-[1-[[(1-oxohexadecyl)oxy]methyl]-1,2-ethanediyl]ester |
|---|---|
| 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)CCCCCCCCCCCCCCC |
| Heavy Atom Count | 61.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Triradylcglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 20.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C55H98O6 |
| Inchi Key | LXAWUIOWWNQCQA-YBQWMRSQSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 50.0 |
| Synonyms | palmito-dilinolein |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 1,2-Dilinoleoyl-3-palmitin |
| Exact Mass | 854.736 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 854.736 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 855.4 |
| 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/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26- |
| Smiles | CCCCCCCCCCCCCCCC(=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 | 4.0 |
| 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 Pinus Gerardiana (Plant) Rel Props:Reference:ISBN:9788190595216