In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019K0D |
---|---|
Common Name | TG(12:0/11:0/20:1(13E)) |
Systematic Name | 1-dodecanoyl-2-undecanoyl-3-(13E-eicosenoyl)-sn-glycerol |
Synonyms | TG(43:1); TG(11:0_12:0_20:1) |
Exact Mass | |
Formula | C46H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | IXTXSWSGWXMUIW-PSMVEJJMSA-N |
InChI | InChI=1S/C46H86O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-28-31-33-36-39-45(48)5 1-42-43(52-46(49)40-37-34-29-18-15-12-9-6-3)41-50-44(47)38-35-32-30-27-17-14-11- 8-5-2/h19-20,43H,4-18,21-42H2,1-3H3/b20-19+/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC/C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |