In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030497JX
Common NameTG(P-18:1(9Z)/17:2(9Z,12Z)/12:0)
Systematic Name1-(1Z,9Z-octadecadienyl)-2-(9Z,12Z-heptadecadienoyl)-3-dodecanoyl-sn-glycerol
SynonymsTG(P-47:3); TG(P-18:1_12:0_17:2)
Exact Mass
770.6788 (neutral)    Calculate m/z:
FormulaC50H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyDADZCEWEYLLYBU-OLHFGXPYSA-N
InChIInChI=1S/C50H90O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-36-39-42-45-53-46-48(4
7-54-49(51)43-40-37-34-31-18-15-12-9-6-3)55-50(52)44-41-38-35-32-29-27-24-22-20-
17-14-11-8-5-2/h14,17,22-25,42,45,48H,4-13,15-16,18-21,26-41,43-44,46-47H2,1-3H3
/b17-14-,24-22-,25-23-,45-42-/t48-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCC/C=C\CCC
CCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)