In-Silico Structure database (LMISSD)

MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMGL05019AAD
Common Name	MGDG(10:0/13:0)
Systematic Name	1-decanoyl,2-tridecanoyl-3-3-O-β-D-galactosyl-sn-glycerol
Synonyms	MGDG(23:0); MGDG(10:0_13:0)
Exact Mass	604.4186 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C32H60O10
Category	Glycerolipids [GL]
Main Class	Glycosyldiradylglycerols [GL05]
Sub Class	Glycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)	-
InChIKey	FSPQINSLJDVYNA-AQISLBJMSA-N
InChI	InChI=1S/C32H60O10/c1-3-5-7-9-11-12-13-15-17-19-21-28(35)41-25(23-39-27(34)20-18 -16-14-10-8-6-4-2)24-40-32-31(38)30(37)29(36)26(22-33)42-32/h25-26,29-33,36-38H, 3-24H2,1-2H3/t25-,26-,29+,30?,31?,32-/m1/s1
SMILES	C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCC)= O
MS Spectra	-
Status	Active (generated by computational methods)