In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049SCG
Common NameTG(P-16:1(9Z)/18:4(9E,11E,13E,15E)/10:0)
Systematic Name1-(1Z,9Z-hexadecadienyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-decanoyl-sn-
glycerol
SynonymsTG(P-44:5); TG(P-16:1_10:0_18:4)
Exact Mass
724.6006 (neutral)    Calculate m/z:
FormulaC47H80O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyYHAXLFPNPHMAPV-SWKVESRJSA-N
InChIInChI=1S/C47H80O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-32-35-38-41-47(49)52-45(4
4-51-46(48)40-37-34-31-15-12-9-6-3)43-50-42-39-36-33-30-28-26-23-21-19-17-14-11-
8-5-2/h7,10,13,16,18-22,24,39,42,45H,4-6,8-9,11-12,14-15,17,23,25-38,40-41,43-44
H2,1-3H3/b10-7+,16-13+,20-18+,21-19-,24-22+,42-39-/t45-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCC/C=C\C
CCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)