In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301AGZ7 |
---|---|
Common Name | TG(16:0/13:0/14:0) |
Systematic Name | 1-hexadecanoyl-2-tridecanoyl-3-tetradecanoyl-sn-glycerol |
Synonyms | TG(43:0); TG(13:0_14:0_16:0) |
Exact Mass | |
Formula | C46H88O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZRWUKHNOVBCXCF-QLKFWGTOSA-N |
InChI | InChI=1S/C46H88O6/c1-4-7-10-13-16-19-22-23-25-28-30-33-36-39-45(48)51-42-43(52-4 6(49)40-37-34-31-26-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-27-24-20-17-14-11- 8-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |