In-Silico Structure database (LMISSD)
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LM ID | LMGL03019NN6 |
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Common Name | TG(12:0/20:3(8Z,11Z,14Z)/11:0) |
Systematic Name | 1-dodecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(43:3); TG(11:0_12:0_20:3) |
Exact Mass | |
Formula | C46H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | COFXSLBSOHIHAX-RZMMCJMGSA-N |
InChI | InChI=1S/C46H82O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-28-31-34-37-40-46(49)5 2-43(41-50-44(47)38-35-32-29-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-17-14-11- 8-5-2/h16,19,21-22,24-25,43H,4-15,17-18,20,23,26-42H2,1-3H3/b19-16-,22-21-,25-24 -/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC) =O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |