In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019FU8 |
---|---|
Common Name | TG(11:0/14:0/17:2(9Z,12Z)) |
Systematic Name | 1-undecanoyl-2-tetradecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol |
Synonyms | TG(42:2); TG(11:0_14:0_17:2) |
Exact Mass | |
Formula | C45H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | CAFGYTWERLVZAR-LCPNZHLUSA-N |
InChI | InChI=1S/C45H82O6/c1-4-7-10-13-16-19-21-22-23-25-26-29-32-35-38-44(47)50-41-42(4 0-49-43(46)37-34-31-28-18-15-12-9-6-3)51-45(48)39-36-33-30-27-24-20-17-14-11-8-5 -2/h13,16,21-22,42H,4-12,14-15,17-20,23-41H2,1-3H3/b16-13-,22-21-/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |