In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019QDD |
---|---|
Common Name | TG(13:0/12:0/18:0) |
Systematic Name | 1-tridecanoyl-2-dodecanoyl-3-octadecanoyl-sn-glycerol |
Synonyms | TG(43:0); TG(12:0_13:0_18:0) |
Exact Mass | |
Formula | C46H88O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | KHXQGQUGUANKEQ-VZUYHUTRSA-N |
InChI | InChI=1S/C46H88O6/c1-4-7-10-13-16-19-21-22-23-24-25-28-30-33-36-39-45(48)51-42-4 3(52-46(49)40-37-34-31-26-18-15-12-9-6-3)41-50-44(47)38-35-32-29-27-20-17-14-11- 8-5-2/h43H,4-42H2,1-3H3/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |