In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029K4D |
---|---|
Common Name | TG(O-16:1(11Z)/13:0/18:1(11Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-tridecanoyl-3-(11Z-octadecenoyl)-sn-glycerol |
Synonyms | TG(O-47:2); TG(O-16:1_13:0_18:1) |
Exact Mass | |
Formula | C50H94O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | XEGBLWXMVDLMEJ-OUYGPUFESA-N |
InChI | InChI=1S/C50H94O5/c1-4-7-10-13-16-19-22-24-26-27-29-32-34-37-40-43-49(51)54-47-4 8(55-50(52)44-41-38-35-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-28-25-23-20- 17-14-11-8-5-2/h14,17,19,22,48H,4-13,15-16,18,20-21,23-47H2,1-3H3/b17-14-,22-19- /t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |