In-Silico Structure Database (LMISSD)
Common Name
TG(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:1(9Z))
Systematic Name
1-(1Z-hexadecenyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(9Z-pentadecenoyl)-sn-glycerol
LM ID
LMGL03049I89
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
848.725775
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
RDIZHRFTYOZDBJ-KCMCPTLHSA-N
InChi (Click to copy)
InChI=1S/C56H96O5/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-35-38-41-44-47-50-56(58)61-54(52-59-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2)53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27,29-30,32,35,48,51,54H,4-6,8-9,11-15,17,20,22-24,26,28,31,33-34,36-47,49-50,52-53H2,1-3H3/b10-7-,19-16-,21-18-,27-25-,30-29-,35-32-,51-48-/t54-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCCCC