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	LMGL05019AAB
Common Name	MGDG(10:0/11:0)
Systematic Name	1-decanoyl,2-undecanoyl-3-3-O-β-D-galactosyl-sn-glycerol
Synonyms	MGDG(21:0); MGDG(10:0_11:0)
Exact Mass	576.3873 (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	C30H56O10
Category	Glycerolipids [GL]
Main Class	Glycosyldiradylglycerols [GL05]
Sub Class	Glycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)	-
InChIKey	YZFFRCDCFKYEHU-CHGIOLFYSA-N
InChI	InChI=1S/C30H56O10/c1-3-5-7-9-11-13-15-17-19-26(33)39-23(21-37-25(32)18-16-14-12 -10-8-6-4-2)22-38-30-29(36)28(35)27(34)24(20-31)40-30/h23-24,27-31,34-36H,3-22H2 ,1-2H3/t23-,24-,27+,28?,29?,30-/m1/s1
SMILES	C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra	-
Status	Active (generated by computational methods)