Trilinolenin
PubChem CID: 5462874
Connections displayed (default: 10).
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| Compound Synonyms | Trilinolenin, 14465-68-0, Glyceryl trilinolenate, Glycerol trilinolenate, OI7S0A9873, LINOLENIN, TRI-, EINECS 238-457-5, 9,12,15-Octadecatrienoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z,12Z,12'Z,12''Z,15Z,15'Z,15''Z)-, VITAMIN F [WHO-DD], TRI-.ALPHA.-LINOLENIN, TG(18:3/18:3/18:3), VITAMIN F GLYCERINESTER, 1,2,3-Propanetriyl linolenate, 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate, 9,12,15-Octadecatrienoic acid, 1,2,3-propanetriyl ester, (all-Z)-, TAG(54:9), TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)), trilinolenin C18:3, Linolenic acid, 1,2,3-propanetriyl ester, 1,2,3-Propanetriyl-9,12,15-octadecatrienoate, TAG(18:3/18:3/18:3), 1,2,3-tri-(9Z,12Z,15Z-octadecatrienoyl)-glycerol, 9,12,15-Octadecatrienoic acid, 1,2,3-propanetriyl ester, TALG cpd, 9,12,15-OCTADECATRIENOIC ACID, 1,2,3-PROPANETRIYL ESTER, (9Z,9'Z,9''Z,12Z,12'Z,12''Z,15Z,15'Z,15''Z)-, propane-1,2,3-triyl (9Z,12Z,15Z,9'Z,12'Z,15'Z,9''Z,12''Z,15''Z)tris-octadeca-9,12,15-trienoate, tri-alpha-linolenoylglycerol, 1,2,3-Trilinolenoylglycerol, UNII-OI7S0A9873, tri-alpha-linolenin, 2,3-bis(((9Z,12Z,15Z)-octadeca-9,12,15-trienoyl)oxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate, linolenoyl triglyceride, Triacylglycerol(54:9), TRILINOLENIN [INCI], 1,2,3-tri(9,12,15-octadecatrienoyl)glycerol, SCHEMBL114353, DTXSID6042654, CHEBI:75845, LMGL03010527, Triacylglycerol(18:3/18:3/18:3), PD044130, NS00014182, Tri-9(Z),12(Z),15(Z)-Octadecatrienoin, G77602, Glyceryl trilinolenate, >=97% (TLC), liquid, 1,2,3-tri-(9Z,12Z,15Z)-octadecatrienoylglycerol, 1,2,3-tri-(9Z,12Z,15Z-octadecatrienoyl)glycerol, 1-a-Linolenoyl-2-a-linolenoyl-3-a-linolenoyl-glycerol, Q27145591, TG 18:3_18:3_18:3, Tri-9(Z),12(Z),15(Z)-Octadecatrienoin, Trilinolenin, TG[18:3(omega-3)/18:3(omega-3)/18:3(omega-3)], Propane-1,2,3-triyl tris((9Z,12Z,15Z)-octadeca-9,12,15-trienoate), 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 63.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1260.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
| Prediction Hob | 0.0 |
| Xlogp | 18.3 |
| Molecular Formula | C57H92O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UBEIMDKGOYBUKT-FLIQGJDUSA-N |
| Fcsp3 | 0.631578947368421 |
| Logs | 0.36 |
| Rotatable Bond Count | 47.0 |
| Logd | 6.799 |
| Compound Name | Trilinolenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 872.689 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 872.689 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 873.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 9.0 |
| Esol | -13.669213399999997 |
| Inchi | InChI=1S/C57H92O6/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/h7-12,16-21,25-30,54H,4-6,13-15,22-24,31-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27- |
| Smiles | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 9.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynanchum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pinus Monophylla (Plant) Rel Props:Source_db:cmaup_ingredients