In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049FQB
Common NameTG(P-16:0/12:0/12:0)
Systematic Name1-(1Z-hexadecenyl)-2-dodecanoyl-3-dodecanoyl-sn-glycerol
SynonymsTG(P-40:0); TG(P-16:0_12:0_12:0)
Exact Mass
678.6162 (neutral)    Calculate m/z:
FormulaC43H82O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyOBYUOYZCJMGOPP-QUZIXWNPSA-N
InChIInChI=1S/C43H82O5/c1-4-7-10-13-16-19-20-21-22-23-26-29-32-35-38-46-39-41(48-43(4
5)37-34-31-28-25-18-15-12-9-6-3)40-47-42(44)36-33-30-27-24-17-14-11-8-5-2/h35,38
,41H,4-34,36-37,39-40H2,1-3H3/b38-35-/t41-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)