In-Silico Structure Database (LMISSD)
Common Name
TG(P-16:1(11Z)/26:2(5E,9Z)/18:2(9Z,11Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(5Z,9E-hexacosadienoyl)-3-(9Z,11Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL03049O79
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
948.850975
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
IMDSFVJOZYVCMW-WQQPAEARSA-N
InChi (Click to copy)
InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-37-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-36-26-23-20-17-14-11-8-5-2/h15,18,20,23,26,35-37,45,48,55,58,61H,4-14,16-17,19,21-22,24-25,27-34,38-44,46-47,49-54,56-57,59-60H2,1-3H3/b18-15-,23-20-,36-26-,37-35-,48-45+,58-55-/t61-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C=C/CCCCCC)[C@]([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC