In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029ABT
Common NameDG(O-14:0/22:4(7Z,10Z,13Z,16Z)/0:0)
Systematic Name1-tetradecyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
SynonymsDG(O-36:4); DG(O-14:0_22:4)
Exact Mass
602.5274 (neutral)    Calculate m/z:
FormulaC39H70O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyFCXHBWQFDRRUGB-TYOQNAPESA-N
InChIInChI=1S/C39H70O4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-39(
41)43-38(36-40)37-42-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23
-24,38,40H,3-10,12,14-16,19,22,25-37H2,1-2H3/b13-11-,18-17-,21-20-,24-23-/t38-/m
0/s1
SMILESOC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)