In-Silico Structure Database (LMISSD)
Common Name
DGDG(18:4(9E,11E,13E,15E)/34:0)
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl),2-tetratriacontanoyl-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019HRV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1164.862725
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
TVUSQRWJKUYDFG-MFGABBJMSA-N
InChi (Click to copy)
InChI=1S/C67H120O15/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-59(70)80-55(52-77-58(69)49-47-45-43-41-39-37-35-18-16-14-12-10-8-6-4-2)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/h6,8,10,12,14,16,18,35,55-57,60-68,71-76H,3-5,7,9,11,13,15,17,19-34,36-54H2,1-2H3/b8-6+,12-10+,16-14+,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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O