In-Silico Structure Database (LMISSD)
Common Name
MGDG(20:4(5Z,8Z,10E,14Z)/24:0)
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl),2-tetracosanoyl-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019C7Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
890.684700
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
ILKRGAQCQHSWBK-KMYUMJHKSA-N
InChi (Click to copy)
InChI=1S/C53H94O10/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(56)62-46(45-61-53-52(59)51(58)50(57)47(43-54)63-53)44-60-48(55)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,20,25,27,29,33,35,46-47,50-54,57-59H,3-11,13,15-19,21-24,26,28,30-32,34,36-45H2,1-2H3/b14-12-,25-20+,29-27-,35-33-/t46-,47-,50+,51?,52?,53-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O