In-Silico Structure Database (LMISSD)
Common Name
MGDG(18:2(9E,11E)/26:2(5Z,9E))
Systematic Name
1-(9E,11E-octadecadienoyl),2-(5Z,9E-hexacosadienoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019BZ4
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)
XNKLHSJGGSSOEM-AYLNUPHRSA-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/h14,16,18,26-28,34,36,46-47,50-54,57-59H,3-13,15,17,19-25,29-33,35,37-45H2,1-2H3/b16-14+,27-18+,28-26+,36-34-/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(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/CCCCCC)=O