In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049L2I
Common NameTG(P-16:1(11Z)/18:1(17Z)/10:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-(13Z-octadecenoyl)-3-decanoyl-sn-glycerol
SynonymsTG(P-44:2); TG(P-16:1_10:0_18:1)
Exact Mass
730.6475 (neutral)    Calculate m/z:
FormulaC47H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyHSJAOJWMMRYQMD-VUTXURMZSA-N
InChIInChI=1S/C47H86O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-32-35-38-41-47(49)52-45(4
4-51-46(48)40-37-34-31-15-12-9-6-3)43-50-42-39-36-33-30-28-26-23-21-19-17-14-11-
8-5-2/h4,14,17,39,42,45H,1,5-13,15-16,18-38,40-41,43-44H2,2-3H3/b17-14-,42-39-/t
45-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)CO/C=C\CCCCCCCC/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)