In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019012 |
---|---|
Common Name | TG(14:1(9Z)/13:0/12:0) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-tridecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(39:1); TG(12:0_13:0_14:1) |
Exact Mass | |
Formula | C42H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | CRWNGZADMCSVKY-HGNDHWEFSA-N |
InChI | InChI=1S/C42H78O6/c1-4-7-10-13-16-19-21-24-26-29-32-35-41(44)47-38-39(37-46-40(4 3)34-31-28-25-22-18-15-12-9-6-3)48-42(45)36-33-30-27-23-20-17-14-11-8-5-2/h13,16 ,39H,4-12,14-15,17-38H2,1-3H3/b16-13-/t39-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |