In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301A17A |
---|---|
Common Name | TG(17:1(9Z)/12:0/12:0) |
Systematic Name | 1-(9Z-heptadecenoyl)-2-dodecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(41:1); TG(12:0_12:0_17:1) |
Exact Mass | |
Formula | C44H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | KHLRTODJBSVAGV-ATGCGRJTSA-N |
InChI | InChI=1S/C44H82O6/c1-4-7-10-13-16-19-20-21-22-23-26-28-31-34-37-43(46)49-40-41(5 0-44(47)38-35-32-29-25-18-15-12-9-6-3)39-48-42(45)36-33-30-27-24-17-14-11-8-5-2/ h20-21,41H,4-19,22-40H2,1-3H3/b21-20-/t41-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |