In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0304AHR0 |
---|---|
Common Name | TG(P-20:1(11Z)/13:0/14:1(9Z)) |
Systematic Name | 1-(1Z,11Z-eicosadienyl)-2-tridecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(P-47:2); TG(P-20:1_13:0_14:1) |
Exact Mass | |
Formula | C50H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | LAYBNBZOFLCIRX-VDCVFKQHSA-N |
InChI | InChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-30-33-36-39-42-45-53-4 6-48(55-50(52)44-41-38-35-31-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-32-29-20- 17-14-11-8-5-2/h14,17,23-24,42,45,48H,4-13,15-16,18-22,25-41,43-44,46-47H2,1-3H3 /b17-14-,24-23-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |