In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030496PO
Common NameTG(P-18:1(9Z)/11:0/16:1(7Z))
Systematic Name1-(1Z,9Z-octadecadienyl)-2-undecanoyl-3-(7Z-hexadecenoyl)-sn-glycerol
SynonymsTG(P-45:2); TG(P-18:1_11:0_16:1)
Exact Mass
744.6632 (neutral)    Calculate m/z:
FormulaC48H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyDPKRVFXSMSVLDV-PNZDYACZSA-N
InChIInChI=1S/C48H88O5/c1-4-7-10-13-16-19-21-23-24-25-27-29-31-34-37-40-43-51-44-46(5
3-48(50)42-39-36-32-18-15-12-9-6-3)45-52-47(49)41-38-35-33-30-28-26-22-20-17-14-
11-8-5-2/h23-24,26,28,40,43,46H,4-22,25,27,29-39,41-42,44-45H2,1-3H3/b24-23-,28-
26-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)