In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030498B0
Common NameTG(P-18:1(9Z)/18:2(2E,4E)/10:0)
Systematic Name1-(1Z,9Z-octadecadienyl)-2-(2E,4E-octadecadienoyl)-3-decanoyl-sn-glycerol
SynonymsTG(P-46:3); TG(P-18:1_10:0_18:2)
Exact Mass
756.6632 (neutral)    Calculate m/z:
FormulaC49H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyMGKXNXJOXWZOIW-RAHWOCRJSA-N
InChIInChI=1S/C49H88O5/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-44-52-45-47(4
6-53-48(50)42-39-36-33-15-12-9-6-3)54-49(51)43-40-37-34-31-29-27-25-23-21-19-17-
14-11-8-5-2/h22,24,34,37,40-41,43-44,47H,4-21,23,25-33,35-36,38-39,42,45-46H2,1-
3H3/b24-22-,37-34+,43-40+,44-41-/t47-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCC
CCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)