In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL030496WC
Common NameTG(P-18:1(9Z)/14:0/10:0)
Systematic Name1-(1Z,9Z-octadecadienyl)-2-tetradecanoyl-3-decanoyl-sn-glycerol
SynonymsTG(P-42:1); TG(P-18:1_10:0_14:0)
Exact Mass
704.6319 (neutral)    Calculate m/z:
FormulaC45H84O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyMSKSWOUKRKQXAZ-VKRONGSLSA-N
InChIInChI=1S/C45H84O5/c1-4-7-10-13-16-18-20-21-22-23-24-26-28-31-34-37-40-48-41-43(4
2-49-44(46)38-35-32-29-15-12-9-6-3)50-45(47)39-36-33-30-27-25-19-17-14-11-8-5-2/
h21-22,37,40,43H,4-20,23-36,38-39,41-42H2,1-3H3/b22-21-,40-37-/t43-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)