In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AN5
Common NameTG(P-14:0/15:0/11:0)
Systematic Name2-pentadecanoyl-3-undecanoyl-sn-glycerol
SynonymsTG(P-40:0); TG(P-14:0_11:0_15:0)
Exact Mass
678.6162 (neutral)    Calculate m/z:
FormulaC43H82O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyRCFKGTHVVGHVDX-QUZIXWNPSA-N
InChIInChI=1S/C43H82O5/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-43(45)48-41(40-47-42(4
4)36-33-30-27-18-15-12-9-6-3)39-46-38-35-32-29-26-24-22-20-17-14-11-8-5-2/h35,38
,41H,4-34,36-37,39-40H2,1-3H3/b38-35-/t41-/m1/s1
SMILESC(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)