In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301BH22 |
---|---|
Common Name | TG(18:1(11E)/11:0/12:0) |
Systematic Name | 1-(11E-octadecenoyl)-2-undecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(41:1); TG(11:0_12:0_18:1) |
Exact Mass | |
Formula | C44H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | RWJJOMLFZQZMKQ-HLAIVLPHSA-N |
InChI | InChI=1S/C44H82O6/c1-4-7-10-13-16-19-20-21-22-23-24-26-29-31-34-37-43(46)49-40-4 1(50-44(47)38-35-32-27-18-15-12-9-6-3)39-48-42(45)36-33-30-28-25-17-14-11-8-5-2/ h19-20,41H,4-18,21-40H2,1-3H3/b20-19+/t41-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |