In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019FOY |
---|---|
Common Name | TG(11:0/11:0/20:1(11E)) |
Systematic Name | 1,2-di-undecanoyl-3-(11E-eicosenoyl)-sn-glycerol |
Synonyms | TG(42:1); TG(11:0_11:0_20:1) |
Exact Mass | |
Formula | C45H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | GRMXLRLGFUAFDW-ANLOTMHSSA-N |
InChI | InChI=1S/C45H84O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-30-32-35-38-44(47)5 0-41-42(51-45(48)39-36-33-29-18-15-12-9-6-3)40-49-43(46)37-34-31-28-17-14-11-8-5 -2/h21-22,42H,4-20,23-41H2,1-3H3/b22-21+/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC/C=C/CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |