In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019KZL |
---|---|
Common Name | TG(12:0/11:0/16:1(9Z)) |
Systematic Name | 1-dodecanoyl-2-undecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(39:1); TG(11:0_12:0_16:1) |
Exact Mass | |
Formula | C42H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZQHCXOVBNZLJQU-DPTAKULKSA-N |
InChI | InChI=1S/C42H78O6/c1-4-7-10-13-16-19-20-21-22-24-27-29-32-35-41(44)47-38-39(48-4 2(45)36-33-30-25-18-15-12-9-6-3)37-46-40(43)34-31-28-26-23-17-14-11-8-5-2/h19-20 ,39H,4-18,21-38H2,1-3H3/b20-19-/t39-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |