In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301C4OL |
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Common Name | TG(18:2(9E,11E)/13:0/10:0) |
Systematic Name | 1-(9E,11E-octadecadienoyl)-2-tridecanoyl-3-decanoyl-sn-glycerol |
Synonyms | TG(41:2); TG(10:0_13:0_18:2) |
Exact Mass | |
Formula | C44H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | BJZGZASLSSKDTF-FQHPOCJVSA-N |
InChI | InChI=1S/C44H80O6/c1-4-7-10-13-16-18-20-21-22-23-24-26-28-31-34-37-43(46)49-40-4 1(39-48-42(45)36-33-30-27-15-12-9-6-3)50-44(47)38-35-32-29-25-19-17-14-11-8-5-2/ h18,20-22,41H,4-17,19,23-40H2,1-3H3/b20-18+,22-21+/t41-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |