In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049ALV
Common NameTG(P-14:0/14:1(9Z)/12:0)
Systematic Name2-(9Z-tetradecenoyl)-3-dodecanoyl-sn-glycerol
SynonymsTG(P-40:1); TG(P-14:0_12:0_14:1)
Exact Mass
676.6006 (neutral)    Calculate m/z:
FormulaC43H80O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyPPFPGWNWHHNDIS-UCUBVMEGSA-N
InChIInChI=1S/C43H80O5/c1-4-7-10-13-16-19-21-23-26-29-32-35-38-46-39-41(40-47-42(44)3
6-33-30-27-24-18-15-12-9-6-3)48-43(45)37-34-31-28-25-22-20-17-14-11-8-5-2/h14,17
,35,38,41H,4-13,15-16,18-34,36-37,39-40H2,1-3H3/b17-14-,38-35-/t41-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)