In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019P84 |
---|---|
Common Name | TG(13:0/10:0/18:2(9E,12E)) |
Systematic Name | 1-tridecanoyl-2-decanoyl-3-(9E,12E-octadecadienoyl)-sn-glycerol |
Synonyms | TG(41:2); TG(10:0_13:0_18:2) |
Exact Mass | |
Formula | C44H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | WHQOONCLDDIEOX-GPWAHFATSA-N |
InChI | InChI=1S/C44H80O6/c1-4-7-10-13-16-18-20-21-22-23-24-26-29-31-34-37-43(46)49-40-4 1(50-44(47)38-35-32-27-15-12-9-6-3)39-48-42(45)36-33-30-28-25-19-17-14-11-8-5-2/ h16,18,21-22,41H,4-15,17,19-20,23-40H2,1-3H3/b18-16+,22-21+/t41-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |