In-Silico Structure Database (LMISSD)
Common Name
MGDG(18:4(9E,11E,13E,15E)/26:0)
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl),2-hexacosanoyl-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019CF6
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)
SKBBTYIQWYJYPK-UGWYUJDLSA-N
InChi (Click to copy)
InChI=1S/C53H94O10/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-49(56)62-46(45-61-53-52(59)51(58)50(57)47(43-54)63-53)44-60-48(55)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,27,46-47,50-54,57-59H,3-5,7,9,11,13,15,17,19-26,28-45H2,1-2H3/b8-6+,12-10+,16-14+,27-18+/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(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O