In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049N4A
Common NameTG(P-16:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/10:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-decanoyl-sn-
glycerol
SynonymsTG(P-46:6); TG(P-16:1_10:0_20:5)
Exact Mass
750.6162 (neutral)    Calculate m/z:
FormulaC49H82O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyKGIOHOCHHFSYKD-JSGMSPLHSA-N
InChIInChI=1S/C49H82O5/c1-4-7-10-13-16-18-20-22-24-25-26-27-29-31-34-37-40-43-49(51)5
4-47(46-53-48(50)42-39-36-33-15-12-9-6-3)45-52-44-41-38-35-32-30-28-23-21-19-17-
14-11-8-5-2/h7,10,14,16-18,22,24,26-27,31,34,41,44,47H,4-6,8-9,11-13,15,19-21,23
,25,28-30,32-33,35-40,42-43,45-46H2,1-3H3/b10-7-,17-14-,18-16-,24-22-,27-26-,34-
31-,44-41-/t47-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCC
CCCC/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)