In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019G7D |
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Common Name | TG(11:0/18:2(6Z,9Z)/13:0) |
Systematic Name | 1-undecanoyl-2-(6Z,9Z-octadecadienoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(42:2); TG(11:0_13:0_18:2) |
Exact Mass | |
Formula | C45H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZRUOOYKBOFTRRW-WGEJBMEESA-N |
InChI | InChI=1S/C45H82O6/c1-4-7-10-13-16-19-21-22-23-24-25-27-30-33-36-39-45(48)51-42(4 0-49-43(46)37-34-31-28-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-20-17-14-11-8-5 -2/h22-23,25,27,42H,4-21,24,26,28-41H2,1-3H3/b23-22-,27-25-/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |