In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029AA6
Common NameDG(O-14:0/18:4(6Z,9Z,12Z,15Z)/0:0)
Systematic Name1-tetradecyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
SynonymsDG(O-32:4); DG(O-14:0_18:4)
Exact Mass
546.4648 (neutral)    Calculate m/z:
FormulaC35H62O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyYYHLGVRCNQMGQZ-KEGLJZSPSA-N
InChIInChI=1S/C35H62O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(37)39-34(32-
36)33-38-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,34,36H,3-4
,6,8-10,12,14-16,19,21,23-33H2,1-2H3/b7-5-,13-11-,18-17-,22-20-/t34-/m0/s1
SMILESOC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)