In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049XI8
Common NameTG(P-18:0/18:3(9Z,12Z,15Z)/11:0)
Systematic Name1-(1Z-octadecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-undecanoyl-sn-glycerol
SynonymsTG(P-47:3); TG(P-18:0_11:0_18:3)
Exact Mass
770.6788 (neutral)    Calculate m/z:
FormulaC50H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyOLOYBJWUWIQXSO-AUIAKSNLSA-N
InChIInChI=1S/C50H90O5/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-36-39-42-45-53-46-48(4
7-54-49(51)43-40-37-34-18-15-12-9-6-3)55-50(52)44-41-38-35-32-30-28-26-24-22-20-
17-14-11-8-5-2/h8,11,17,20,24,26,42,45,48H,4-7,9-10,12-16,18-19,21-23,25,27-41,4
3-44,46-47H2,1-3H3/b11-8-,20-17-,26-24-,45-42-/t48-/m1/s1
SMILESC(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCC
CCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)