In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301CTXC |
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Common Name | TG(18:2(2E,4E)/11:0/13:0) |
Systematic Name | 1-(2E,4E-octadecadienoyl)-2-undecanoyl-3-tridecanoyl-sn-glycerol |
Synonyms | TG(42:2); TG(11:0_13:0_18:2) |
Exact Mass | |
Formula | C45H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | CPDQNVDZCIZMIM-BDUFFXNHSA-N |
InChI | InChI=1S/C45H82O6/c1-4-7-10-13-16-19-21-22-23-24-25-27-30-32-35-38-44(47)50-41-4 2(51-45(48)39-36-33-28-18-15-12-9-6-3)40-49-43(46)37-34-31-29-26-20-17-14-11-8-5 -2/h30,32,35,38,42H,4-29,31,33-34,36-37,39-41H2,1-3H3/b32-30+,38-35+/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |