In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019A8W |
---|---|
Common Name | TG(10:0/18:1(11E)/11:0) |
Systematic Name | 1-decanoyl-2-(11E-octadecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(39:1); TG(10:0_11:0_18:1) |
Exact Mass | |
Formula | C42H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | XIUINAYIRQSKPZ-UPDBTFFCSA-N |
InChI | InChI=1S/C42H78O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-27-30-33-36-42(45)48-39(3 7-46-40(43)34-31-28-25-15-12-9-6-3)38-47-41(44)35-32-29-26-17-14-11-8-5-2/h18-19 ,39H,4-17,20-38H2,1-3H3/b19-18+/t39-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |