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	LMGL05019AAE
Common Name	MGDG(10:0/14:0)
Systematic Name	1-decanoyl,2-tetradecanoyl-3-3-O-β-D-galactosyl-sn-glycerol
Synonyms	MGDG(24:0); MGDG(10:0_14:0)
Exact Mass	618.4343 (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	C33H62O10
Category	Glycerolipids [GL]
Main Class	Glycosyldiradylglycerols [GL05]
Sub Class	Glycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)	-
InChIKey	ZDDFTZRMDFXBPJ-XISZIOLRSA-N
InChI	InChI=1S/C33H62O10/c1-3-5-7-9-11-12-13-14-16-18-20-22-29(36)42-26(24-40-28(35)21 -19-17-15-10-8-6-4-2)25-41-33-32(39)31(38)30(37)27(23-34)43-33/h26-27,30-34,37-3 9H,3-25H2,1-2H3/t26-,27-,30+,31?,32?,33-/m1/s1
SMILES	C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCC) =O
MS Spectra	-
Status	Active (generated by computational methods)