In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301FMZF |
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Common Name | TG(20:3(8Z,11Z,14Z)/12:0/10:0) |
Systematic Name | 1-(8Z,11Z,14Z-eicosatrienoyl)-2-dodecanoyl-3-decanoyl-sn-glycerol |
Synonyms | TG(42:3); TG(10:0_12:0_20:3) |
Exact Mass | |
Formula | C45H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | JRPOVOFKSJIYTF-ROYCPYJTSA-N |
InChI | InChI=1S/C45H80O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-27-29-32-35-38-44(47)5 0-41-42(40-49-43(46)37-34-31-28-15-12-9-6-3)51-45(48)39-36-33-30-26-17-14-11-8-5 -2/h16,18,20-21,23-24,42H,4-15,17,19,22,25-41H2,1-3H3/b18-16-,21-20-,24-23-/t42- /m0/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)= O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |