In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL0304967I
Common NameTG(P-18:1(9Z)/16:0/10:0)
Systematic Name1-(1Z,9Z-octadecadienyl)-2-hexadecanoyl-3-decanoyl-sn-glycerol
SynonymsTG(P-44:1); TG(P-18:1_10:0_16:0)
Exact Mass
732.6632 (neutral)    Calculate m/z:
FormulaC47H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyBBQYGNZZJHYPBO-AONBKCDGSA-N
InChIInChI=1S/C47H88O5/c1-4-7-10-13-16-18-20-22-23-24-26-28-30-33-36-39-42-50-43-45(4
4-51-46(48)40-37-34-31-15-12-9-6-3)52-47(49)41-38-35-32-29-27-25-21-19-17-14-11-
8-5-2/h22-23,39,42,45H,4-21,24-38,40-41,43-44H2,1-3H3/b23-22-,42-39-/t45-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)