In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049FOW
Common NameTG(P-16:0/11:0/19:0)
Systematic Name1-(1Z-hexadecenyl)-2-undecanoyl-3-nonadecanoyl-sn-glycerol
SynonymsTG(P-46:0); TG(P-16:0_11:0_19:0)
Exact Mass
762.7101 (neutral)    Calculate m/z:
FormulaC49H94O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyDMYBLVDXGJMWNQ-BSCSNSBOSA-N
InChIInChI=1S/C49H94O5/c1-4-7-10-13-16-19-21-23-25-26-27-29-31-34-36-39-42-48(50)53-4
6-47(54-49(51)43-40-37-33-18-15-12-9-6-3)45-52-44-41-38-35-32-30-28-24-22-20-17-
14-11-8-5-2/h41,44,47H,4-40,42-43,45-46H2,1-3H3/b44-41-/t47-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)