In-Silico Structure Database (LMISSD)
Common Name
DGDG(34:0/18:3(9Z,12Z,15Z))
Systematic Name
1-tetratriacontanoyl,2-(9Z,12Z,15Z-octadecatrienoyl)-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019KJ1
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)
LLZYDFMIEMSLAR-LGQIJUBPSA-N
InChi (Click to copy)
InChI=1S/C67H122O15/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-58(69)77-52-55(80-59(70)50-48-46-44-42-40-38-35-18-16-14-12-10-8-6-4-2)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/h6,8,12,14,18,35,55-57,60-68,71-76H,3-5,7,9-11,13,15-17,19-34,36-54H2,1-2H3/b8-6-,14-12-,35-18-/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(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O