In-Silico Structure database (LMISSD)
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LM ID | LMGL03019ADR |
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Common Name | TG(10:0/11:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-decanoyl-2-undecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol |
Synonyms | TG(41:3); TG(10:0_11:0_20:3) |
Exact Mass | |
Formula | C44H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | FXTQHZAPRWVVJW-JCBMRGCYSA-N |
InChI | InChI=1S/C44H78O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-29-31-34-37-43(46)4 9-40-41(39-48-42(45)36-33-30-27-15-12-9-6-3)50-44(47)38-35-32-28-17-14-11-8-5-2/ h20-21,23-24,26,29,41H,4-19,22,25,27-28,30-40H2,1-3H3/b21-20-,24-23-,29-26-/t41- /m1/s1 |
SMILES | C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |