In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301AG4S |
---|---|
Common Name | TG(16:0/14:1(9Z)/13:0) |
Systematic Name | 1-hexadecanoyl-2-(9Z-tetradecenoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(43:1); TG(13:0_14:1_16:0) |
Exact Mass | |
Formula | C46H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | UAOJOIYNAPMOOR-YCSOJUAKSA-N |
InChI | InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-23-25-27-30-33-36-39-45(48)51-42-43(41-5 0-44(47)38-35-32-29-26-21-18-15-12-9-6-3)52-46(49)40-37-34-31-28-24-20-17-14-11- 8-5-2/h14,17,43H,4-13,15-16,18-42H2,1-3H3/b17-14-/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |