In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029AFC |
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Common Name | TG(O-14:0/12:0/18:1(11Z)) |
Systematic Name | 1-tetradecyl-2-dodecanoyl-3-(11Z-octadecenoyl)-sn-glycerol |
Synonyms | TG(O-44:1); TG(O-14:0_12:0_18:1) |
Exact Mass | |
Formula | C47H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | PYTGTQOVANDANC-APLHONLDSA-N |
InChI | InChI=1S/C47H90O5/c1-4-7-10-13-16-19-21-23-24-25-26-29-31-34-37-40-46(48)51-44-4 5(52-47(49)41-38-35-32-28-18-15-12-9-6-3)43-50-42-39-36-33-30-27-22-20-17-14-11- 8-5-2/h19,21,45H,4-18,20,22-44H2,1-3H3/b21-19-/t45-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |