In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049K1U
Common NameTG(P-16:1(11Z)/12:0/16:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-dodecanoyl-3-hexadecanoyl-sn-glycerol
SynonymsTG(P-44:1); TG(P-16:1_12:0_16:0)
Exact Mass
732.6632 (neutral)    Calculate m/z:
FormulaC47H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyQMAMTAQJMCLVRU-QXEUAKSXSA-N
InChIInChI=1S/C47H88O5/c1-4-7-10-13-16-19-21-23-25-27-30-33-36-39-42-50-43-45(52-47(4
9)41-38-35-32-28-18-15-12-9-6-3)44-51-46(48)40-37-34-31-29-26-24-22-20-17-14-11-
8-5-2/h13,16,39,42,45H,4-12,14-15,17-38,40-41,43-44H2,1-3H3/b16-13-,42-39-/t45-/
m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)