In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019VQS |
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Common Name | TG(14:0/13:0/14:1(9Z)) |
Systematic Name | 1-tetradecanoyl-2-tridecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(41:1); TG(13:0_14:0_14:1) |
Exact Mass | |
Formula | C44H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | BULXWXLQADWHQX-COLQZRDTSA-N |
InChI | InChI=1S/C44H82O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-42(45)48-39-41(50-44(47)3 8-35-32-29-24-21-18-15-12-9-6-3)40-49-43(46)37-34-31-28-26-23-20-17-14-11-8-5-2/ h13,16,41H,4-12,14-15,17-40H2,1-3H3/b16-13-/t41-/m0/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |