In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030496YU
Common NameTG(P-18:1(9Z)/14:1(9Z)/15:1(9Z))
Systematic Name1-(1Z,9Z-octadecadienyl)-2-(9Z-tetradecenoyl)-3-(9Z-pentadecenoyl)-sn-glycerol
SynonymsTG(P-47:3); TG(P-18:1_14:1_15:1)
Exact Mass
770.6788 (neutral)    Calculate m/z:
FormulaC50H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyMXOHMDZAHZRPLY-ZEYILCIYSA-N
InChIInChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-33-36-39-42-45-53-46-48(5
5-50(52)44-41-38-35-32-28-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-31-29-23-20-
17-14-11-8-5-2/h15,17-18,20,24-25,42,45,48H,4-14,16,19,21-23,26-41,43-44,46-47H2
,1-3H3/b18-15-,20-17-,25-24-,45-42-/t48-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCC/C=C\CCC
CCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)