In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019KZM |
---|---|
Common Name | TG(12:0/11:0/17:0) |
Systematic Name | 1-dodecanoyl-2-undecanoyl-3-heptadecanoyl-sn-glycerol |
Synonyms | TG(40:0); TG(11:0_12:0_17:0) |
Exact Mass | |
Formula | C43H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | XJKBCPLGCZGQML-RRHRGVEJSA-N |
InChI | InChI=1S/C43H82O6/c1-4-7-10-13-16-19-20-21-22-23-25-28-30-33-36-42(45)48-39-40(4 9-43(46)37-34-31-26-18-15-12-9-6-3)38-47-41(44)35-32-29-27-24-17-14-11-8-5-2/h40 H,4-39H2,1-3H3/t40-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |