In-Silico Structure database (LMISSD)
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LM ID | LMGL03019MWJ |
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Common Name | TG(12:0/18:3(9Z,12Z,15Z)/12:0) |
Systematic Name | 1,3-di-dodecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol |
Synonyms | TG(42:3); TG(12:0_12:0_18:3) |
Exact Mass | |
Formula | C45H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | WEZKYXJUOFSCHL-XMRVQXCHSA-N |
InChI | InChI=1S/C45H80O6/c1-4-7-10-13-16-19-20-21-22-23-24-27-30-33-36-39-45(48)51-42(4 0-49-43(46)37-34-31-28-25-17-14-11-8-5-2)41-50-44(47)38-35-32-29-26-18-15-12-9-6 -3/h7,10,16,19,21-22,42H,4-6,8-9,11-15,17-18,20,23-41H2,1-3H3/b10-7-,19-16-,22-2 1- |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCC)= O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |