LIPID MAPS

Common Name

TG(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(7Z))

Systematic Name

1-hexadecyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(7Z-hexadecenoyl)-sn-glycerol

LM ID

LMGL03029I60

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

864.757075

Formula

C₅₇H₁₀₀O₅

Predict MS/MS spectrum ([M+NH4]+)

Download as...

MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

DGSJFYBXUDLPIE-WHSXDYEESA-N

InChi (Click to copy)

InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(53-60-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19,25,27,29-30,32-33,35-36,42,45,55H,4-15,17-18,20-24,26,28,31,34,37-41,43-44,46-54H2,1-3H3/b19-16-,27-25-,30-29-,35-32-,36-33-,45-42-/t55-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCCCC