In-Silico Structure database (LMISSD)
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LM ID | LMGL03019FPC |
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Common Name | TG(11:0/11:0/20:5(5Z,8Z,11Z,14Z,17Z)) |
Systematic Name | 1,2-di-undecanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol |
Synonyms | TG(42:5); TG(11:0_11:0_20:5) |
Exact Mass | |
Formula | C45H76O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | TXSFWHOOCFCXQY-XJVFDNSLSA-N |
InChI | InChI=1S/C45H76O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-30-32-35-38-44(47)5 0-41-42(51-45(48)39-36-33-29-18-15-12-9-6-3)40-49-43(46)37-34-31-28-17-14-11-8-5 -2/h7,10,16,19,21-22,24-25,27,30,42H,4-6,8-9,11-15,17-18,20,23,26,28-29,31-41H2, 1-3H3/b10-7-,19-16-,22-21-,25-24-,30-27-/t42-/m1/s1 |
SMILES | C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCC CCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |