In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AL6
Common NameTG(P-14:0/14:1(9Z)/17:2(9Z,12Z))
Systematic Name2-(9Z-tetradecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
SynonymsTG(P-45:3); TG(P-14:0_14:1_17:2)
Exact Mass
742.6475 (neutral)    Calculate m/z:
FormulaC48H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyJSBKYJCPGVRGNE-UZUQIHQVSA-N
InChIInChI=1S/C48H86O5/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-47(49)52-45-46(4
4-51-43-40-37-34-31-28-23-20-17-14-11-8-5-2)53-48(50)42-39-36-33-30-26-21-18-15-
12-9-6-3/h13,15-16,18,22,24,40,43,46H,4-12,14,17,19-21,23,25-39,41-42,44-45H2,1-
3H3/b16-13-,18-15-,24-22-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCCC
CCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)