In-Silico Structure database (LMISSD)
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LM ID | LMGL02019AIG |
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Common Name | DG(13:0/20:4(5Z,8Z,10E,14Z)/0:0) |
Systematic Name | 1-tridecanoyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycerol |
Synonyms | DG(33:4); DG(13:0_20:4) |
Exact Mass | |
Formula | C36H62O5 |
Category | Glycerolipids [GL] |
Main Class | Diradylglycerols [GL02] |
Sub Class | Diacylglycerols [GL0201] |
PubChem Compound ID (CID) | - |
InChIKey | JPKKWHHUVGVFBH-KBPKHPRKSA-N |
InChI | InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41- 34(32-37)33-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,17-20,23,25,34,37H,3 -10,12,14-16,21-22,24,26-33H2,1-2H3/b13-11-,18-17+,20-19-,25-23-/t34-/m0/s1 |
SMILES | OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |