In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019QFJ |
---|---|
Common Name | TG(13:0/13:0/16:1(7Z)) |
Systematic Name | 1,2-di-tridecanoyl-3-(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 | WYSFIAUOZHITFU-RITSITSSSA-N |
InChI | InChI=1S/C45H84O6/c1-4-7-10-13-16-19-22-23-24-27-29-32-35-38-44(47)50-41-42(51-4 5(48)39-36-33-30-26-21-18-15-12-9-6-3)40-49-43(46)37-34-31-28-25-20-17-14-11-8-5 -2/h23-24,42H,4-22,25-41H2,1-3H3/b24-23-/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |