In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030490VG
Common NameTG(P-18:1(11Z)/10:0/17:2(9Z,12Z))
Systematic Name1-(1Z,11Z-octadecadienyl)-2-decanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
SynonymsTG(P-45:3); TG(P-18:1_10:0_17:2)
Exact Mass
742.6475 (neutral)    Calculate m/z:
FormulaC48H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyGZDCPBPGHXIXDM-KFROFYOYSA-N
InChIInChI=1S/C48H86O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-31-34-37-40-43-51-44-46(5
3-48(50)42-39-36-32-15-12-9-6-3)45-52-47(49)41-38-35-33-30-28-26-23-21-19-17-14-
11-8-5-2/h14,17-18,20-21,23,40,43,46H,4-13,15-16,19,22,24-39,41-42,44-45H2,1-3H3
/b17-14-,20-18-,23-21-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCC
CCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)