In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019LJ6 |
---|---|
Common Name | TG(12:0/16:1(9Z)/14:0) |
Systematic Name | 1-dodecanoyl-2-(9Z-hexadecenoyl)-3-tetradecanoyl-sn-glycerol |
Synonyms | TG(42:1); TG(12:0_14:0_16:1) |
Exact Mass | |
Formula | C45H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | WRQIHGLBBGDQOQ-BNQAGZCGSA-N |
InChI | InChI=1S/C45H84O6/c1-4-7-10-13-16-19-21-22-24-27-30-33-36-39-45(48)51-42(40-49-4 3(46)37-34-31-28-25-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5 -2/h19,21,42H,4-18,20,22-41H2,1-3H3/b21-19-/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |