In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019K0A |
---|---|
Common Name | TG(12:0/11:0/20:0) |
Systematic Name | 1-dodecanoyl-2-undecanoyl-3-eicosanoyl-sn-glycerol |
Synonyms | TG(43:0); TG(11:0_12:0_20:0) |
Exact Mass | |
Formula | C46H88O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | FSBXAIVUGMJMTM-VZUYHUTRSA-N |
InChI | InChI=1S/C46H88O6/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/h43H,4-42H2,1-3H3/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |