In-Silico Structure database (LMISSD)
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LM ID | LMGL02019IS0 |
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Common Name | DG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/13:0) |
Systematic Name | 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | DG(33:5); DG(13:0_20:5) |
Exact Mass | |
Formula | C36H60O5 |
Category | Glycerolipids [GL] |
Main Class | Diradylglycerols [GL02] |
Sub Class | Diacylglycerols [GL0201] |
PubChem Compound ID (CID) | - |
InChIKey | KEPUOJXKZBUHMC-AXCVOLLUSA-N |
InChI | InChI=1S/C36H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41- 33-34(37)32-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,2 5,34,37H,3-4,6,8-10,12,14-15,18,21-22,24,26-33H2,1-2H3/b7-5-,13-11-,17-16-,20-19 -,25-23-/t34-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |