In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AQ5
Common NameTG(P-14:0/15:1(9Z)/18:2(9E,11E))
Systematic Name2-(9Z-pentadecenoyl)-3-(9E,11E-octadecadienoyl)-sn-glycerol
SynonymsTG(P-47:3); TG(P-14:0_15:1_18:2)
Exact Mass
770.6788 (neutral)    Calculate m/z:
FormulaC50H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyRMDLKWREDSJRDK-HFYJNITJSA-N
InChIInChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-49(51)54-47-4
8(46-53-45-42-39-36-33-30-24-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-28-23-20-
17-14-11-8-5-2/h17,19-20,22,25-26,42,45,48H,4-16,18,21,23-24,27-41,43-44,46-47H2
,1-3H3/b20-17-,22-19+,26-25+,45-42-/t48-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C/C=C/CCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCCCC
CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)