In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049GX2
Common NameTG(P-16:0/18:1(7Z)/10:0)
Systematic Name1-(1Z-hexadecenyl)-2-(7Z-octadecenoyl)-3-decanoyl-sn-glycerol
SynonymsTG(P-44:1); TG(P-16:0_10:0_18:1)
Exact Mass
732.6632 (neutral)    Calculate m/z:
FormulaC47H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyGUCITJGGLUMZFD-DYDCJENJSA-N
InChIInChI=1S/C47H88O5/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/h25,27,39,42,45H,4-24,26,28-38,40-41,43-44H2,1-3H3/b27-25-,42-39-/t45-/m1/
s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)