In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030496YR
Common NameTG(P-18:1(9Z)/14:1(9Z)/14:0)
Systematic Name1-(1Z,9Z-octadecadienyl)-2-(9Z-tetradecenoyl)-3-tetradecanoyl-sn-glycerol
SynonymsTG(P-46:2); TG(P-18:1_14:0_14:1)
Exact Mass
758.6788 (neutral)    Calculate m/z:
FormulaC49H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyUKRVUBBIOFWBDP-AQMCPDMVSA-N
InChIInChI=1S/C49H90O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-45-47(5
4-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-27-20-17-
14-11-8-5-2/h15,18,23-24,41,44,47H,4-14,16-17,19-22,25-40,42-43,45-46H2,1-3H3/b1
8-15-,24-23-,44-41-/t47-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCC
C
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)