In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL0304902M
Common NameTG(P-18:1(11Z)/13:0/12:0)
Systematic Name1-(1Z,11Z-octadecadienyl)-2-tridecanoyl-3-dodecanoyl-sn-glycerol
SynonymsTG(P-43:1); TG(P-18:1_12:0_13:0)
Exact Mass
718.6475 (neutral)    Calculate m/z:
FormulaC46H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyJIDCZQUDTJFDIA-CTFMWBGDSA-N
InChIInChI=1S/C46H86O5/c1-4-7-10-13-16-19-21-22-23-24-25-26-29-32-35-38-41-49-42-44(4
3-50-45(47)39-36-33-30-27-18-15-12-9-6-3)51-46(48)40-37-34-31-28-20-17-14-11-8-5
-2/h19,21,38,41,44H,4-18,20,22-37,39-40,42-43H2,1-3H3/b21-19-,41-38-/t44-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)