In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049WDP
Common NameTG(P-18:0/17:2(9Z,12Z)/10:0)
Systematic Name1-(1Z-octadecenyl)-2-(9Z,12Z-heptadecadienoyl)-3-decanoyl-sn-glycerol
SynonymsTG(P-45:2); TG(P-18:0_10:0_17:2)
Exact Mass
744.6632 (neutral)    Calculate m/z:
FormulaC48H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyFZZHWGVGERXOBF-YYFCAUPSSA-N
InChIInChI=1S/C48H88O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-31-34-37-40-43-51-44-46(4
5-52-47(49)41-38-35-32-15-12-9-6-3)53-48(50)42-39-36-33-30-28-26-23-21-19-17-14-
11-8-5-2/h14,17,21,23,40,43,46H,4-13,15-16,18-20,22,24-39,41-42,44-45H2,1-3H3/b1
7-14-,23-21-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)