In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019AAH
Common NameTG(10:0/10:0/15:1(9Z))
Systematic Name1,2-di-decanoyl-3-(9Z-pentadecenoyl)-sn-glycerol
SynonymsTG(35:1); TG(10:0_10:0_15:1)
Exact Mass
622.5172 (neutral)    Calculate m/z:
FormulaC38H70O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyOBZJVGLPGIUVQB-XHYHITGYSA-N
InChIInChI=1S/C38H70O6/c1-4-7-10-13-16-17-18-19-20-23-25-28-31-37(40)43-34-35(44-38(4
1)32-29-26-22-15-12-9-6-3)33-42-36(39)30-27-24-21-14-11-8-5-2/h16-17,35H,4-15,18
-34H2,1-3H3/b17-16-/t35-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)