In-Silico Structure Database (LMISSD)
Common Name
MGDG(10:0/20:4(7E,10E,13E,16E))
Systematic Name
1-decanoyl,2-(7E,10E,13E,16E-eicosatetraenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019ABN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
694.465600
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
NKOCVVCSAFHSLI-IPFUKDGUSA-N
InChi (Click to copy)
InChI=1S/C39H66O10/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(42)48-32(30-46-34(41)27-25-23-21-10-8-6-4-2)31-47-39-38(45)37(44)36(43)33(29-40)49-39/h7,9,12-13,15-16,18-19,32-33,36-40,43-45H,3-6,8,10-11,14,17,20-31H2,1-2H3/b9-7+,13-12+,16-15+,19-18+/t32-,33-,36+,37?,38?,39-/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(CCCCCCCCC)=O