In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049CLC
Common NameTG(P-14:0/20:1(11E)/12:0)
Systematic Name2-(11E-eicosenoyl)-3-dodecanoyl-sn-glycerol
SynonymsTG(P-46:1); TG(P-14:0_12:0_20:1)
Exact Mass
760.6945 (neutral)    Calculate m/z:
FormulaC49H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyWCNDJOMJBTZCNR-UPINXICKSA-N
InChIInChI=1S/C49H92O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-31-34-37-40-43-49(51)5
4-47(46-53-48(50)42-39-36-33-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-22-20-17-
14-11-8-5-2/h23-24,41,44,47H,4-22,25-40,42-43,45-46H2,1-3H3/b24-23+,44-41-/t47-/
m1/s1
SMILESC(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)