In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301GDJ9 |
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Common Name | TG(20:4(6E,8Z,11Z,14Z)/12:0/11:0) |
Systematic Name | 1-(6E,8Z,11Z,14Z-eicosatetraenoyl)-2-dodecanoyl-3-undecanoyl-sn-glycerol |
Synonyms | TG(43:4); TG(11:0_12:0_20:4) |
Exact Mass | |
Formula | C46H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | VQDKMTRMILOECY-OPEPKMLUSA-N |
InChI | InChI=1S/C46H80O6/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/h16,19,21-22,24-26,28,43H,4-15,17-18,20,23,27,29-42H2,1-3H3/b19-16-,22-21- ,25-24-,28-26+/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCC C)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |