In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049MK1 |
---|---|
Common Name | TG(P-16:1(11Z)/18:2(9E,11E)/13:0) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(9E,11E-octadecadienoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(P-47:3); TG(P-16:1_13:0_18:2) |
Exact Mass | |
Formula | C50H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | BMFIGFPDWUYZBJ-BDLFQCEOSA-N |
InChI | InChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-24-26-27-29-32-35-38-41-44-50(52)55-48(4 7-54-49(51)43-40-37-34-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-28-25-23-20- 17-14-11-8-5-2/h14,17,19,22,24,26,42,45,48H,4-13,15-16,18,20-21,23,25,27-41,43-4 4,46-47H2,1-3H3/b17-14-,22-19+,26-24+,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)CO/C=C\CCCCCCCC/C=C\ CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |