In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019HIU |
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Common Name | TG(11:0/18:3(6Z,9Z,12Z)/11:0) |
Systematic Name | 1,3-di-undecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol |
Synonyms | TG(40:3); TG(11:0_11:0_18:3) |
Exact Mass | |
Formula | C43H76O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | QZBGPBQFUMQEIJ-CRCXHREWSA-N |
InChI | InChI=1S/C43H76O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-28-31-34-37-43(46)49-40(3 8-47-41(44)35-32-29-26-17-14-11-8-5-2)39-48-42(45)36-33-30-27-18-15-12-9-6-3/h16 ,19,21-22,24-25,40H,4-15,17-18,20,23,26-39H2,1-3H3/b19-16-,22-21-,25-24- |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |