In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AID |
---|---|
Common Name | TG(P-14:0/13:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 2-tridecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol |
Synonyms | TG(P-47:3); TG(P-14:0_13:0_20:3) |
Exact Mass | |
Formula | C50H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | KVHGOFQBTXPZDA-FOHIHSHZSA-N |
InChI | InChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-32-34-37-40-43-49(51)5 4-47-48(55-50(52)44-41-38-35-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-23-20- 17-14-11-8-5-2/h24-25,27-28,32,34,42,45,48H,4-23,26,29-31,33,35-41,43-44,46-47H2 ,1-3H3/b25-24-,28-27-,34-32-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCC CCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |