In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AZR
Common NameTG(P-14:0/17:0/14:0)
Systematic Name2-heptadecanoyl-3-tetradecanoyl-sn-glycerol
SynonymsTG(P-45:0); TG(P-14:0_14:0_17:0)
Exact Mass
748.6945 (neutral)    Calculate m/z:
FormulaC48H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyQWHNIYUSGPWBHE-OENHAXBHSA-N
InChIInChI=1S/C48H92O5/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-48(50)53-46(44-5
1-43-40-37-34-31-28-23-20-17-14-11-8-5-2)45-52-47(49)41-38-35-32-29-26-21-18-15-
12-9-6-3/h40,43,46H,4-39,41-42,44-45H2,1-3H3/b43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)