In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049K6H
Common NameTG(P-16:1(11Z)/14:0/16:1(7Z))
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-tetradecanoyl-3-(7Z-hexadecenoyl)-sn-glycerol
SynonymsTG(P-46:2); TG(P-16:1_14:0_16:1)
Exact Mass
758.6788 (neutral)    Calculate m/z:
FormulaC49H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyZGHBMSLBFQSPQE-SJUCGRNWSA-N
InChIInChI=1S/C49H90O5/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-44-52-45-47(54-49(5
1)43-40-37-34-31-27-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-28-25-23-20-17-
14-11-8-5-2/h13,16,25,28,41,44,47H,4-12,14-15,17-24,26-27,29-40,42-43,45-46H2,1-
3H3/b16-13-,28-25-,44-41-/t47-/m1/s1
SMILESC(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCC
C
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)