In-Silico Structure database (LMISSD)
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LM ID | LMGL03019FRN |
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Common Name | TG(11:0/12:0/20:5(5Z,8Z,11Z,14Z,17Z)) |
Systematic Name | 1-undecanoyl-2-dodecanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol |
Synonyms | TG(43:5); TG(11:0_12:0_20:5) |
Exact Mass | |
Formula | C46H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | BIUBJNARSXFYPO-ZXPOJYKASA-N |
InChI | InChI=1S/C46H78O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-28-30-33-36-39-45(48)5 1-42-43(41-50-44(47)38-35-32-29-18-15-12-9-6-3)52-46(49)40-37-34-31-27-17-14-11- 8-5-2/h7,10,16,19,21-22,24-25,28,30,43H,4-6,8-9,11-15,17-18,20,23,26-27,29,31-42 H2,1-3H3/b10-7-,19-16-,22-21-,25-24-,30-28-/t43-/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(CCCCCCCCCCC)=O)COC(CCCCC CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |