In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03029AA5
Common NameTG(O-14:0/10:0/18:3(9Z,12Z,15Z))
Systematic Name1-tetradecyl-2-decanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
SynonymsTG(O-42:3); TG(O-14:0_10:0_18:3)
Exact Mass
702.6162 (neutral)    Calculate m/z:
FormulaC45H82O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassAlkyldiacylglycerols [GL0302]
PubChem Compound ID (CID)-
InChIKeySSJCCPQRIGWCGO-UOSKYYJFSA-N
InChIInChI=1S/C45H82O5/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/
h7,10,16,18,22-23,43H,4-6,8-9,11-15,17,19-21,24-42H2,1-3H3/b10-7-,18-16-,23-22-/
t43-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)