In-Silico Structure Database (LMISSD)
Common Name
DGDG(20:3(8Z,11Z,14Z)/32:0)
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl),2-dotriacontanoyl-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019IEV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1166.878375
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
PPUQLUUSSBJMME-CWLCPGHLSA-N
InChi (Click to copy)
InChI=1S/C67H122O15/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-59(70)80-55(52-77-58(69)49-47-45-43-41-39-37-35-33-20-18-16-14-12-10-8-6-4-2)53-78-66-65(76)63(74)61(72)57(82-66)54-79-67-64(75)62(73)60(71)56(51-68)81-67/h12,14,18,20,35,37,55-57,60-68,71-76H,3-11,13,15-17,19,21-34,36,38-54H2,1-2H3/b14-12-,20-18-,37-35-/t55-,56-,57-,60+,61+,62?,63?,64?,65?,66-,67-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O