In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL0304AMWE
Common NameTG(P-20:1(9Z)/10:0/13:0)
Systematic Name1-(1Z,9Z-eicosadienyl)-2-decanoyl-3-tridecanoyl-sn-glycerol
SynonymsTG(P-43:1); TG(P-20:1_10:0_13:0)
Exact Mass
718.6475 (neutral)    Calculate m/z:
FormulaC46H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyVFEDUGBXPROWPE-QRIWGPEMSA-N
InChIInChI=1S/C46H86O5/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-27-29-32-35-38-41-49-4
2-44(51-46(48)40-37-34-30-15-12-9-6-3)43-50-45(47)39-36-33-31-28-19-17-14-11-8-5
-2/h23-24,38,41,44H,4-22,25-37,39-40,42-43H2,1-3H3/b24-23-,41-38-/t44-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)