In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049M3E
Common NameTG(P-16:1(11Z)/19:0/10:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-nonadecanoyl-3-decanoyl-sn-glycerol
SynonymsTG(P-45:1); TG(P-16:1_10:0_19:0)
Exact Mass
746.6788 (neutral)    Calculate m/z:
FormulaC48H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyFGAVPKKGEPXYBZ-AWQGOBLMSA-N
InChIInChI=1S/C48H90O5/c1-4-7-10-13-16-18-20-22-24-25-26-28-30-33-36-39-42-48(50)53-4
6(45-52-47(49)41-38-35-32-15-12-9-6-3)44-51-43-40-37-34-31-29-27-23-21-19-17-14-
11-8-5-2/h14,17,40,43,46H,4-13,15-16,18-39,41-42,44-45H2,1-3H3/b17-14-,43-40-/t4
6-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)