In-Silico Structure Database (LMISSD)
Common Name
TG(P-16:1(11Z)/20:4(7E,10E,13E,16E)/26:2(5E,9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL03049N3U
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
972.850975
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
UQMKQIXGLCCIQG-JASIXANTSA-N
InChi (Click to copy)
InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-37-38-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-39-36-29-26-23-20-17-14-11-8-5-2/h11,14-15,18,20,23,29,36-38,41,44,46,49,57,60,63H,4-10,12-13,16-17,19,21-22,24-28,30-35,39-40,42-43,45,47-48,50-56,58-59,61-62H2,1-3H3/b14-11+,18-15-,23-20+,36-29+,38-37-,44-41+,49-46+,60-57-/t63-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC