In-Silico Structure Database (LMISSD)

Common Name
TG(P-22:1(11Z)/15:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(1Z,11Z-docosenyl)-2-pentadecanoyl-3-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0304AXYH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
930.804025
Formula
C62H106O5
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]

String Representations

InChiKey (Click to copy)
DNVASHQYZWGUTP-UNRIAEBNSA-N
InChi (Click to copy)
InChI=1S/C62H106O5/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-65-58-60(67-62(64)56-53-50-47-44-40-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,28-32,34,38,41,46,49,54,57,60H,4-7,9-10,12-16,18-19,21-27,33,35-37,39-40,42-45,47-48,50-53,55-56,58-59H2,1-3H3/b11-8-,20-17-,30-28+,31-29-,34-32-,41-38-,49-46-,57-54-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC

References

Other Databases