In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019QS7 |
---|---|
Common Name | TG(13:0/16:1(7Z)/13:0) |
Systematic Name | 1,3-di-tridecanoyl-2-(7Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(42:1); TG(13:0_13:0_16:1) |
Exact Mass | |
Formula | C45H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | AEUAJQZCVYBAKO-VHXPQNKSSA-N |
InChI | InChI=1S/C45H84O6/c1-4-7-10-13-16-19-22-23-24-27-30-33-36-39-45(48)51-42(40-49-4 3(46)37-34-31-28-25-20-17-14-11-8-5-2)41-50-44(47)38-35-32-29-26-21-18-15-12-9-6 -3/h23-24,42H,4-22,25-41H2,1-3H3/b24-23- |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |