In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019HR3 |
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Common Name | TG(11:0/19:0/12:0) |
Systematic Name | 1-undecanoyl-2-nonadecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(42:0); TG(11:0_12:0_19:0) |
Exact Mass | |
Formula | C45H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | HAVYUZXIHXEPLV-HUESYALOSA-N |
InChI | InChI=1S/C45H86O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-27-30-33-36-39-45(48)51-4 2(40-49-43(46)37-34-31-28-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-17-14-11-8-5 -2/h42H,4-41H2,1-3H3/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |