In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02019BKJ
Common NameDG(18:1(6Z)/14:1(9Z)/0:0)
Systematic Name1-(6Z-octadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycerol
SynonymsDG(32:2); DG(14:1_18:1)
Exact Mass
564.4754 (neutral)    Calculate m/z:
FormulaC35H64O5
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub ClassDiacylglycerols [GL0201]
PubChem Compound ID (CID)-
InChIKeyHJYDOLMWDHROSG-BAJCUVHFSA-N
InChIInChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(
31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,20-21,33,36H,3-9,11,13-
19,22-32H2,1-2H3/b12-10-,21-20-/t33-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCC/C=C\CCCCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)