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	LMGL05019AAC
Common Name	MGDG(10:0/12:0)
Systematic Name	1-decanoyl,2-dodecanoyl-3-3-O-β-D-galactosyl-sn-glycerol
Synonyms	MGDG(22:0); MGDG(10:0_12:0)
Exact Mass	590.4030 (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	C31H58O10
Category	Glycerolipids [GL]
Main Class	Glycosyldiradylglycerols [GL05]
Sub Class	Glycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)	-
InChIKey	BRXMZUJNDPMPRP-SLMJOBLMSA-N
InChI	InChI=1S/C31H58O10/c1-3-5-7-9-11-12-14-16-18-20-27(34)40-24(22-38-26(33)19-17-15 -13-10-8-6-4-2)23-39-31-30(37)29(36)28(35)25(21-32)41-31/h24-25,28-32,35-37H,3-2 3H2,1-2H3/t24-,25-,28+,29?,30?,31-/m1/s1
SMILES	C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra	-
Status	Active (generated by computational methods)