In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049BBB
Common NameTG(P-14:0/18:1(11Z)/14:1(9Z))
Systematic Name2-(11Z-octadecenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol
SynonymsTG(P-46:2); TG(P-14:0_14:1_18:1)
Exact Mass
758.6788 (neutral)    Calculate m/z:
FormulaC49H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyPARRKOZZKHPYCU-MTGQJAPBSA-N
InChIInChI=1S/C49H90O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-49(51)54-47(4
5-52-44-41-38-35-32-29-23-20-17-14-11-8-5-2)46-53-48(50)42-39-36-33-30-27-21-18-
15-12-9-6-3/h15,18-19,22,41,44,47H,4-14,16-17,20-21,23-40,42-43,45-46H2,1-3H3/b1
8-15-,22-19-,44-41-/t47-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)CO/C=C\CCCCCCCCCCC
C
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)