Showing Metabocard for 1-dodecanoyl-2-(9Z-octadecenoyl)-glycerol (BASm0005689)
| Common Name | 1-dodecanoyl-2-(9z-octadecenoyl)-glycerol |
|---|---|
| Description | DG(12:0/18:1(9Z)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(12:0/18:1(9Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. |
| Structure | |
| Molecular Formula | C33H62O5 |
| Average Mass | 538.85400 |
| Monoisotopic Mass | 538.45973 |
| IUPAC Name | 1-(dodecanoyloxy)-3-hydroxypropan-2-yl (9Z)-octadec-9-enoate |
| Traditional Name | 1-(dodecanoyloxy)-3-hydroxypropan-2-yl (9z)-octadec-9-enoate |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC |
| InChI Identifier | InChI=1S/C33H62O5/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-12-10-8-6-4-2/h15-16,31,34H,3-14,17-30H2,1-2H3/b16-15-/t31-/m0/s1 |
| InChI Key | PQTQNYZOCAKARX-WQUIGTGHSA-N |
| CHEBI ID | CHEBI:75579 |
| State | Not Available |
| Water Solubility | 2.30e-05 g/l |
| logP | 9.47 |
| logS | -7.37 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 72.83 Ų |
| Rotatable Bond Count | 31 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 159.61 m³·mol⁻¹ |
| Polarizability | 69.92 |