Showing Metabocard for tritetradecanoylglycerol (BASm0006158)
| Common Name | Tritetradecanoylglycerol | ||||
|---|---|---|---|---|---|
| Description | TG(14:0/14:0/14:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(14:0/14:0/14:0) is made up of three tetradecanoyl(R1) fatty acids. | ||||
| Structure | |||||
| Molecular Formula | C45H86O6 | ||||
| Average Mass | 723.16070 | ||||
| Monoisotopic Mass | 722.64244 | ||||
| IUPAC Name | 1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate | ||||
| Traditional Name | Trimyristin | ||||
| CAS Registry Number | 555-45-3 | ||||
| SMILES | CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC | ||||
| InChI Identifier | InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3 | ||||
| InChI Key | DUXYWXYOBMKGIN-UHFFFAOYSA-N | ||||
| CHEBI ID | CHEBI:77391 | ||||
| HMDB ID | HMDB0042061 | ||||
| Pathways |
| ||||
| State | Not Available | ||||
| Water Solubility | 1.32e-05 g/l | ||||
| logP | 10.31 | ||||
| logS | -7.74 | ||||
| pKa (Strongest Acidic) | Not Available | ||||
| pKa (Strongest Basic) | -6.57 | ||||
| Hydrogen Acceptor Count | 3 | ||||
| Hydrogen Donor Count | 0 | ||||
| Polar Surface Area | 78.9 Ų | ||||
| Rotatable Bond Count | 44 | ||||
| Physiological Charge | 0 | ||||
| Formal Charge | 0 | ||||
| Refractivity | 213.68 m³·mol⁻¹ | ||||
| Polarizability | 96.81 |