In-Silico Structure Database (LMISSD)
Common Name
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11E)/20:3(8Z,11Z,14Z))
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(11E-octadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL0301HP9N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.783290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
OPWCVQYBFRNZGW-HJXWBKNSSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,35,37-38,41,60H,4-6,8-9,11-15,18,22-23,27,30,32,34,36,39-40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21+,28-25-,29-26-,33-31-,37-35-,41-38-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O