In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301FMZG |
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Common Name | TG(20:3(8Z,11Z,14Z)/12:0/11:0) |
Systematic Name | 1-(8Z,11Z,14Z-eicosatrienoyl)-2-dodecanoyl-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 | KGERRSFECRARLK-RZMMCJMGSA-N |
InChI | InChI=1S/C46H82O6/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/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(CCCCCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC) =O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |