In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049K4O |
---|---|
Common Name | TG(P-16:1(11Z)/13:0/18:2(9E,12E)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-tridecanoyl-3-(9E,12E-octadecadienoyl)-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 | OBXYXHCELOCYMY-KVPMCCJRSA-N |
InChI | InChI=1S/C50H90O5/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/h14,16-17,19,24,26,42,45,48H,4-13,15,18,20-23,25,27-41,43-44,46-4 7H2,1-3H3/b17-14-,19-16+,26-24+,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C \CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |