In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL0304A2UG
Common NameTG(P-22:1(9Z)/10:0/12:0)
Systematic Name1-(1Z,9Z-docosenyl)-2-decanoyl-3-dodecanoyl-sn-glycerol
SynonymsTG(P-44:1); TG(P-22:1_10:0_12:0)
Exact Mass
732.6632 (neutral)    Calculate m/z:
FormulaC47H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyUVRBXKLETMLVAS-LTPGWDGLSA-N
InChIInChI=1S/C47H88O5/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-28-30-33-36-39-4
2-50-43-45(52-47(49)41-38-35-31-15-12-9-6-3)44-51-46(48)40-37-34-32-29-17-14-11-
8-5-2/h24-25,39,42,45H,4-23,26-38,40-41,43-44H2,1-3H3/b25-24-,42-39-/t45-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)