In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301GTF0 |
---|---|
Common Name | TG(21:0/11:0/10:0) |
Systematic Name | 1-heneicosanoyl-2-undecanoyl-3-decanoyl-sn-glycerol |
Synonyms | TG(42:0); TG(10:0_11:0_21:0) |
Exact Mass | |
Formula | C45H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | LWKAFFVDAMYEAV-WBCKFURZSA-N |
InChI | InChI=1S/C45H86O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-30-32-35-38-44(4 7)50-41-42(40-49-43(46)37-34-31-28-15-12-9-6-3)51-45(48)39-36-33-29-17-14-11-8-5 -2/h42H,4-41H2,1-3H3/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |