In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301DPTH |
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Common Name | TG(18:3(6Z,9Z,12Z)/11:0/12:0) |
Systematic Name | 1-(6Z,9Z,12Z-octadecatrienoyl)-2-undecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(41:3); TG(11:0_12:0_18:3) |
Exact Mass | |
Formula | C44H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | WAKCCCCEDJSWPS-FAKDMWIISA-N |
InChI | InChI=1S/C44H78O6/c1-4-7-10-13-16-19-20-21-22-23-24-26-29-31-34-37-43(46)49-40-4 1(50-44(47)38-35-32-27-18-15-12-9-6-3)39-48-42(45)36-33-30-28-25-17-14-11-8-5-2/ h16,19,21-22,24,26,41H,4-15,17-18,20,23,25,27-40H2,1-3H3/b19-16-,22-21-,26-24-/t 41-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |