In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019AH7 |
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Common Name | TG(10:0/13:0/20:1(11E)) |
Systematic Name | 1-decanoyl-2-tridecanoyl-3-(11E-eicosenoyl)-sn-glycerol |
Synonyms | TG(43:1); TG(10:0_13:0_20:1) |
Exact Mass | |
Formula | C46H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | PBXIJALTLHZURW-KKIPUPKUSA-N |
InChI | InChI=1S/C46H86O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-28-30-33-36-39-45(48)5 1-42-43(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-31-27-19-17-14-11- 8-5-2/h21-22,43H,4-20,23-42H2,1-3H3/b22-21+/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC/C=C/CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |