In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02019ABC
Common NameDG(10:0/20:1(13E)/0:0)
Systematic Name1-decanoyl-2-(13E-eicosenoyl)-sn-glycerol
SynonymsDG(30:1); DG(10:0_20:1)
Exact Mass
538.4597 (neutral)    Calculate m/z:
FormulaC33H62O5
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub ClassDiacylglycerols [GL0201]
PubChem Compound ID (CID)-
InChIKeyLCTZBVJBUAVDEX-NMRIGVFYSA-N
InChIInChI=1S/C33H62O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(36)38-
31(29-34)30-37-32(35)27-25-23-21-10-8-6-4-2/h12-13,31,34H,3-11,14-30H2,1-2H3/b13
-12+/t31-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)