In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02019AAC
Common NameDG(10:0/12:0/0:0)
Systematic Name1-decanoyl-2-dodecanoyl-sn-glycerol
SynonymsDG(22:0); DG(10:0_12:0)
Exact Mass
428.3502 (neutral)    Calculate m/z:
FormulaC25H48O5
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub ClassDiacylglycerols [GL0201]
PubChem Compound ID (CID)-
InChIKeyLWKIJYVYUAMHKX-QHCPKHFHSA-N
InChIInChI=1S/C25H48O5/c1-3-5-7-9-11-12-14-16-18-20-25(28)30-23(21-26)22-29-24(27)19-
17-15-13-10-8-6-4-2/h23,26H,3-22H2,1-2H3/t23-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)