1,3-Dilinolein
PubChem CID: 45934042
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,3-Dilinolein, 15818-46-9, Glyceryl 1,3-dilinoleate, 1,3-Glyceryl Dilinoleate, 1,3-Dilinoleoyl-rac-glycerol, Linolein, 1,3-di-, 1,3-dilinoleoylglycerol, UNII-B07YB21KXB, B07YB21KXB, Linoleic acid, 2-hydroxytrimethylene ester, (Z,Z)-9,12-Octadecadienoic Acid 2-Hydroxy-1,3-propanediyl Ester, [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate, CHEBI:75850, 9,12-Octadecadienoic acid (Z,Z)-, 2-hydroxy-1,3-propanediyl ester, 9,12-Octadecadienoic acid (9Z,12Z)-, 2-hydroxy-1,3-propanediyl ester, 1,3-Glyceryl Dilinoleate (>80%), 9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-(2-hydroxy-1,3-propanediyl) ester, 2-hydroxypropane-1,3-diyl (9Z,12Z,9'Z,12'Z)bis-octadeca-9,12-dienoate, (2-hydroxy-3-((9Z,12Z)-octadeca-9,12-dienoyl)oxypropyl) (9Z,12Z)-octadeca-9,12-dienoate, 1,3-Glyceryl dilinoleic acid, Glyceryl 1,3-dilinoleic acid, SCHEMBL2732836, DTXSID701317257, FG23678, PD018370, 1,3-di-(9Z,12Z)-octadecadienoylglycerol, CS-0447470, G77719, DG[18:2(omega-6)/0:0/18:2(omega-6)], Q27145597, 1,3-Di-([cis,cis]-9,12-octadecadienoyl)-rac-glycerol, 1,3-Dilinolein, 2-Hydroxypropane-1,3-diyl (9Z,9'Z,12Z,12'Z)-bis(octadeca-9,12-dienoate), (Z,Z)-9,12-Octadecadienoic acid 2-hydroxy-1,3-propanediyl ester, a,a'-Dilinolein, 1,3-Dilinoleoyl-rac-glycerol |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 690.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 0.0 |
| Xlogp | 13.0 |
| Molecular Formula | C39H68O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYPGMYIQHDZFFD-MAZCIEHSSA-N |
| Fcsp3 | 0.7435897435897436 |
| Logs | -1.603 |
| Rotatable Bond Count | 34.0 |
| Logd | 5.716 |
| Compound Name | 1,3-Dilinolein |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 616.507 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 616.507 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 617.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -9.592301600000003 |
| Inchi | InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Setaria Italica (Plant) Rel Props:Source_db:cmaup_ingredients