In-Silico Structure Database (LMISSD)
Common Name
MGDG(38:0/18:3(9Z,12Z,15Z))
Systematic Name
1-octatriacontanoyl,2-(9Z,12Z,15Z-octadecatrienoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019FHW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1060.888150
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
OJUWBHICUWZKTK-CFWROUSBSA-N
InChi (Click to copy)
InChI=1S/C65H120O10/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-60(67)72-56-58(57-73-65-64(71)63(70)62(69)59(55-66)75-65)74-61(68)54-52-50-48-46-44-42-39-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,39,58-59,62-66,69-71H,3-5,7,9-11,13,15-17,19-38,40-57H2,1-2H3/b8-6-,14-12-,39-18-/t58-,59-,62+,63?,64?,65-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O