In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019V84 |
---|---|
Common Name | TG(14:0/17:0/11:0) |
Systematic Name | 1-tetradecanoyl-2-heptadecanoyl-3-undecanoyl-sn-glycerol |
Synonyms | TG(42:0); TG(11:0_14:0_17:0) |
Exact Mass | |
Formula | C45H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | HANQYEOKBJQWGU-WBCKFURZSA-N |
InChI | InChI=1S/C45H86O6/c1-4-7-10-13-16-19-21-22-23-25-27-30-33-36-39-45(48)51-42(40-4 9-43(46)37-34-31-28-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-24-20-17-14-11-8-5 -2/h42H,4-41H2,1-3H3/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |