In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049CR9 |
---|---|
Common Name | TG(P-14:0/20:1(13Z)/12:0) |
Systematic Name | 2-(13Z-eicosenoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(P-46:1); TG(P-14:0_12:0_20:1) |
Exact Mass | |
Formula | C49H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | IEYTYRZTPGXEQV-MGPLDJFXSA-N |
InChI | InChI=1S/C49H92O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-31-34-37-40-43-49(51)5 4-47(46-53-48(50)42-39-36-33-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-22-20-17- 14-11-8-5-2/h19,21,41,44,47H,4-18,20,22-40,42-43,45-46H2,1-3H3/b21-19-,44-41-/t4 7-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |