In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049FQE |
---|---|
Common Name | TG(P-16:0/12:0/14:1(9Z)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-dodecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(P-42:1); TG(P-16:0_12:0_14:1) |
Exact Mass | |
Formula | C45H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | WXBIIQHKTDYSEL-ILCUQIJQSA-N |
InChI | InChI=1S/C45H84O5/c1-4-7-10-13-16-19-21-22-23-25-28-31-34-37-40-48-41-43(50-45(4 7)39-36-33-30-26-18-15-12-9-6-3)42-49-44(46)38-35-32-29-27-24-20-17-14-11-8-5-2/ h14,17,37,40,43H,4-13,15-16,18-36,38-39,41-42H2,1-3H3/b17-14-,40-37-/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |