In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019FOV |
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Common Name | TG(11:0/11:0/18:4(9E,11E,13E,15E)) |
Systematic Name | 1,2-di-undecanoyl-3-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol |
Synonyms | TG(40:4); TG(11:0_11:0_18:4) |
Exact Mass | |
Formula | C43H74O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | YPKKTYIRHQUGSU-ALDMJBKDSA-N |
InChI | InChI=1S/C43H74O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-28-30-33-36-42(45)48-39-4 0(49-43(46)37-34-31-27-18-15-12-9-6-3)38-47-41(44)35-32-29-26-17-14-11-8-5-2/h7, 10,13,16,19-22,40H,4-6,8-9,11-12,14-15,17-18,23-39H2,1-3H3/b10-7+,16-13+,20-19+, 22-21+/t40-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |