In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019QZ3 |
---|---|
Common Name | TG(13:0/17:1(9Z)/12:0) |
Systematic Name | 1-tridecanoyl-2-(9Z-heptadecenoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(42:1); TG(12:0_13:0_17:1) |
Exact Mass | |
Formula | C45H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | MPDPIVPFVXFAHP-VAVOUJMRSA-N |
InChI | InChI=1S/C45H84O6/c1-4-7-10-13-16-19-21-22-23-24-27-30-33-36-39-45(48)51-42(40-4 9-43(46)37-34-31-28-25-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-20-17-14-11-8-5 -2/h21-22,42H,4-20,23-41H2,1-3H3/b22-21-/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |