In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03029AAZ
Common NameTG(O-14:0/10:0/18:2(6Z,9Z))
Systematic Name1-tetradecyl-2-decanoyl-3-(6Z,9Z-octadecadienoyl)-sn-glycerol
SynonymsTG(O-42:2); TG(O-14:0_10:0_18:2)
Exact Mass
704.6319 (neutral)    Calculate m/z:
FormulaC45H84O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassAlkyldiacylglycerols [GL0302]
PubChem Compound ID (CID)-
InChIKeyWKTCEGHQRLTOET-UMLQFSPGSA-N
InChIInChI=1S/C45H84O5/c1-4-7-10-13-16-18-20-22-23-24-25-27-30-32-35-38-44(46)49-42-4
3(50-45(47)39-36-33-29-15-12-9-6-3)41-48-40-37-34-31-28-26-21-19-17-14-11-8-5-2/
h22-23,25,27,43H,4-21,24,26,28-42H2,1-3H3/b23-22-,27-25-/t43-/m1/s1
SMILESC(OC(=O)CCCC/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)