In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049B5C
Common NameTG(P-14:0/18:2(9Z,12Z)/15:1(9Z))
Systematic Name2-(9Z,12Z-octadecadienoyl)-3-(9Z-pentadecenoyl)-sn-glycerol
SynonymsTG(P-47:3); TG(P-14:0_15:1_18:2)
Exact Mass
770.6788 (neutral)    Calculate m/z:
FormulaC50H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyXDCUKKPUDWIRRD-TYYSVLNCSA-N
InChIInChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-50(52)55-48(4
6-53-45-42-39-36-33-30-24-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-31-28-23-20-
17-14-11-8-5-2/h16-17,19-20,25-26,42,45,48H,4-15,18,21-24,27-41,43-44,46-47H2,1-
3H3/b19-16-,20-17-,26-25-,45-42-/t48-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCC
CCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)