In-Silico Structure Database (LMISSD)
Common Name
DGDG(18:3(6Z,9Z,12Z)/15:1(9Z))
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl),2-(9Z-pentadecenoyl)-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019HI0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
898.565375
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
LULUZTRTVORZIH-ARCCHMLASA-N
InChi (Click to copy)
InChI=1S/C48H82O15/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-39(50)58-33-36(61-40(51)31-29-27-25-23-20-16-14-12-10-8-6-4-2)34-59-47-46(57)44(55)42(53)38(63-47)35-60-48-45(56)43(54)41(52)37(32-49)62-48/h11-14,17-18,21-22,36-38,41-49,52-57H,3-10,15-16,19-20,23-35H2,1-2H3/b13-11-,14-12-,18-17-,22-21-/t36-,37-,38-,41+,42+,43?,44?,45?,46?,47-,48-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O