In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030491PJ
Common NameTG(P-18:1(11Z)/17:1(9Z)/10:0)
Systematic Name1-(1Z,11Z-octadecadienyl)-2-(9Z-heptadecenoyl)-3-decanoyl-sn-glycerol
SynonymsTG(P-45:2); TG(P-18:1_10:0_17:1)
Exact Mass
744.6632 (neutral)    Calculate m/z:
FormulaC48H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyPRQXWADDNBJBFO-VGSDWZBOSA-N
InChIInChI=1S/C48H88O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-31-34-37-40-43-51-44-46(4
5-52-47(49)41-38-35-32-15-12-9-6-3)53-48(50)42-39-36-33-30-28-26-23-21-19-17-14-
11-8-5-2/h18,20-21,23,40,43,46H,4-17,19,22,24-39,41-42,44-45H2,1-3H3/b20-18-,23-
21-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)