In-Silico Structure Database (LMISSD)
Common Name
MGDG(16:1(9Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z-hexadecenoyl),2-(7E,10E,13E,16E-eicosatetraenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019AYP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
776.543850
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
SJQZNEXLBZUWCM-ANCZSRKBSA-N
InChi (Click to copy)
InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(48)54-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)36-52-40(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h7,9,13-16,18-19,22,24,38-39,42-46,49-51H,3-6,8,10-12,17,20-21,23,25-37H2,1-2H3/b9-7+,15-13+,16-14-,19-18+,24-22+/t38-,39-,42+,43?,44?,45-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O