In-Silico Structure Database (LMISSD)
Common Name
MGDG(32:0/26:2(5Z,9E))
Systematic Name
1-dotriacontanoyl,2-(5Z,9E-hexacosadienoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019E43
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1090.935100
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
FFNIAEMATQQNET-VMMPXQCFSA-N
InChi (Click to copy)
InChI=1S/C67H126O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-53-55-62(69)74-58-60(59-75-67-66(73)65(72)64(71)61(57-68)77-67)76-63(70)56-54-52-50-48-46-44-42-40-38-36-33-26-24-22-20-18-16-14-12-10-8-6-4-2/h40,42,48,50,60-61,64-68,71-73H,3-39,41,43-47,49,51-59H2,1-2H3/b42-40+,50-48-/t60-,61-,64+,65?,66?,67-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O