In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030490ZX
Common NameTG(P-18:1(11Z)/12:0/16:0)
Systematic Name1-(1Z,11Z-octadecadienyl)-2-dodecanoyl-3-hexadecanoyl-sn-glycerol
SynonymsTG(P-46:1); TG(P-18:1_12:0_16:0)
Exact Mass
760.6945 (neutral)    Calculate m/z:
FormulaC49H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyFTIDOFNDGPCOBP-MGPLDJFXSA-N
InChIInChI=1S/C49H92O5/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-44-52-45-47(5
4-49(51)43-40-37-34-30-18-15-12-9-6-3)46-53-48(50)42-39-36-33-31-28-26-22-20-17-
14-11-8-5-2/h19,21,41,44,47H,4-18,20,22-40,42-43,45-46H2,1-3H3/b21-19-,44-41-/t4
7-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)