In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL0304A2UI
Common NameTG(P-22:1(9Z)/10:0/14:0)
Systematic Name1-(1Z,9Z-docosenyl)-2-decanoyl-3-tetradecanoyl-sn-glycerol
SynonymsTG(P-46:1); TG(P-22:1_10:0_14:0)
Exact Mass
760.6945 (neutral)    Calculate m/z:
FormulaC49H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyCYCFKSVIPJKFTQ-YZRPEHPLSA-N
InChIInChI=1S/C49H92O5/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-27-28-30-32-35-38-41-4
4-52-45-47(54-49(51)43-40-37-33-15-12-9-6-3)46-53-48(50)42-39-36-34-31-29-19-17-
14-11-8-5-2/h25-26,41,44,47H,4-24,27-40,42-43,45-46H2,1-3H3/b26-25-,44-41-/t47-/
m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)