In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AOD
Common NameTG(P-14:0/15:0/16:1(7Z))
Systematic Name2-pentadecanoyl-3-(7Z-hexadecenoyl)-sn-glycerol
SynonymsTG(P-45:1); TG(P-14:0_15:0_16:1)
Exact Mass
746.6788 (neutral)    Calculate m/z:
FormulaC48H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyKURBBFKXWZBODH-YZZAJLNCSA-N
InChIInChI=1S/C48H90O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-47(49)52-45-46(44-5
1-43-40-37-34-31-28-24-21-18-15-12-9-6-3)53-48(50)42-39-36-33-30-26-23-20-17-14-
11-8-5-2/h25,27,40,43,46H,4-24,26,28-39,41-42,44-45H2,1-3H3/b27-25-,43-40-/t46-/
m1/s1
SMILESC(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)