In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AAS
Common NameTG(P-14:0/10:0/18:1(17Z))
Systematic Name2-decanoyl-3-(13Z-octadecenoyl)-sn-glycerol
SynonymsTG(P-42:1); TG(P-14:0_10:0_18:1)
Exact Mass
704.6319 (neutral)    Calculate m/z:
FormulaC45H84O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeySCTCMWUTUOCPBL-HXONXNPESA-N
InChIInChI=1S/C45H84O5/c1-4-7-10-13-16-18-20-22-23-24-25-27-30-32-35-38-44(46)49-42-4
3(50-45(47)39-36-33-29-15-12-9-6-3)41-48-40-37-34-31-28-26-21-19-17-14-11-8-5-2/
h4,37,40,43H,1,5-36,38-39,41-42H2,2-3H3/b40-37-/t43-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCCCCC=C)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)