In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019QAX |
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Common Name | TG(13:0/11:0/16:1(7Z)) |
Systematic Name | 1-tridecanoyl-2-undecanoyl-3-(7Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(40:1); TG(11:0_13:0_16:1) |
Exact Mass | |
Formula | C43H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | MLLFEJWUUFVUMR-WOBDTNDUSA-N |
InChI | InChI=1S/C43H80O6/c1-4-7-10-13-16-19-21-22-23-25-28-30-33-36-42(45)48-39-40(49-4 3(46)37-34-31-26-18-15-12-9-6-3)38-47-41(44)35-32-29-27-24-20-17-14-11-8-5-2/h22 -23,40H,4-21,24-39H2,1-3H3/b23-22-/t40-/m1/s1 |
SMILES | C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |