In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049QOK
Common NameTG(P-16:1(9Z)/15:1(9Z)/12:0)
Systematic Name1-(1Z,9Z-hexadecadienyl)-2-(9Z-pentadecenoyl)-3-dodecanoyl-sn-glycerol
SynonymsTG(P-43:2); TG(P-16:1_12:0_15:1)
Exact Mass
716.6319 (neutral)    Calculate m/z:
FormulaC46H84O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyMICVBUYGLTVZSG-VUUZLOPESA-N
InChIInChI=1S/C46H84O5/c1-4-7-10-13-16-19-21-23-24-26-29-32-35-38-41-49-42-44(43-50-4
5(47)39-36-33-30-27-18-15-12-9-6-3)51-46(48)40-37-34-31-28-25-22-20-17-14-11-8-5
-2/h17,19-21,38,41,44H,4-16,18,22-37,39-40,42-43H2,1-3H3/b20-17-,21-19-,41-38-/t
44-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)