In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049F1X
Common NameTG(P-16:0/15:1(9Z)/14:1(9Z))
Systematic Name1-(1Z-hexadecenyl)-2-(9Z-pentadecenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol
SynonymsTG(P-45:2); TG(P-16:0_14:1_15:1)
Exact Mass
744.6632 (neutral)    Calculate m/z:
FormulaC48H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyRLBXNAAYXUKHSR-MCSBOOMRSA-N
InChIInChI=1S/C48H88O5/c1-4-7-10-13-16-19-22-24-25-28-31-34-37-40-43-51-44-46(45-52-4
7(49)41-38-35-32-29-26-21-18-15-12-9-6-3)53-48(50)42-39-36-33-30-27-23-20-17-14-
11-8-5-2/h15,17-18,20,40,43,46H,4-14,16,19,21-39,41-42,44-45H2,1-3H3/b18-15-,20-
17-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)