In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QHX |
---|---|
Common Name | TG(P-16:1(9Z)/14:0/17:1(9Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-tetradecanoyl-3-(9Z-heptadecenoyl)-sn-glycerol |
Synonyms | TG(P-47:2); TG(P-16:1_14:0_17:1) |
Exact Mass | |
Formula | C50H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | IUPKSELUKRAADJ-PPQUXQEFSA-N |
InChI | InChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-43-49(51)54-47-48(5 5-50(52)44-41-38-35-32-28-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-27-25-23-20- 17-14-11-8-5-2/h20,22-24,42,45,48H,4-19,21,25-41,43-44,46-47H2,1-3H3/b23-20-,24- 22-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |