In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049F8T
Common NameTG(P-16:0/16:1(9Z)/14:0)
Systematic Name1-(1Z-hexadecenyl)-2-(9Z-hexadecenoyl)-3-tetradecanoyl-sn-glycerol
SynonymsTG(P-46:1); TG(P-16:0_14:0_16:1)
Exact Mass
760.6945 (neutral)    Calculate m/z:
FormulaC49H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyAWAHBPQYWMGMJL-DIVPVSFSSA-N
InChIInChI=1S/C49H92O5/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-44-52-45-47(46-53-4
8(50)42-39-36-33-30-27-21-18-15-12-9-6-3)54-49(51)43-40-37-34-31-28-25-23-20-17-
14-11-8-5-2/h20,23,41,44,47H,4-19,21-22,24-40,42-43,45-46H2,1-3H3/b23-20-,44-41-
/t47-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)