In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019FOK |
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Common Name | TG(11:0/11:0/18:1(9E)) |
Systematic Name | 1,2-di-undecanoyl-3-(9E-octadecenoyl)-sn-glycerol |
Synonyms | TG(40:1); TG(11:0_11:0_18:1) |
Exact Mass | |
Formula | C43H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | XVWHYLSKVYLOMS-YSXQINSYSA-N |
InChI | InChI=1S/C43H80O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-28-30-33-36-42(45)48-39-4 0(49-43(46)37-34-31-27-18-15-12-9-6-3)38-47-41(44)35-32-29-26-17-14-11-8-5-2/h21 -22,40H,4-20,23-39H2,1-3H3/b22-21+/t40-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |