In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301CT6I |
---|---|
Common Name | TG(18:2(2E,4E)/14:1(9Z)/11:0) |
Systematic Name | 1-(2E,4E-octadecadienoyl)-2-(9Z-tetradecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(43:3); TG(11:0_14:1_18:2) |
Exact Mass | |
Formula | C46H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZVUNMTYTJPOCHK-BBWHRXOTSA-N |
InChI | InChI=1S/C46H82O6/c1-4-7-10-13-16-19-21-22-23-24-26-27-30-33-36-39-45(48)51-42-4 3(41-50-44(47)38-35-32-29-18-15-12-9-6-3)52-46(49)40-37-34-31-28-25-20-17-14-11- 8-5-2/h14,17,30,33,36,39,43H,4-13,15-16,18-29,31-32,34-35,37-38,40-42H2,1-3H3/b1 7-14-,33-30+,39-36+/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(/C=C/C=C/CCCCCCCCCCCCC)= O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |