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	LMGL05019DE9
Common Name	MGDG(20:4(7E,10E,13E,16E)/10:0)
Systematic Name	1-(7E,10E,13E,16E-eicosatetraenoyl),2-decanoyl-3-3-O-β-D-galactosyl-sn- glycerol
Synonyms	MGDG(30:4); MGDG(10:0_20:4)
Exact Mass	694.4656 (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	C39H66O10
Category	Glycerolipids [GL]
Main Class	Glycosyldiradylglycerols [GL05]
Sub Class	Glycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)	-
InChIKey	BSVMHNUJGILEJF-IPFUKDGUSA-N
InChI	InChI=1S/C39H66O10/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-23-25-27-34(41)46 -30-32(48-35(42)28-26-24-21-10-8-6-4-2)31-47-39-38(45)37(44)36(43)33(29-40)49-39 /h7,9,12-13,15-16,18-19,32-33,36-40,43-45H,3-6,8,10-11,14,17,20-31H2,1-2H3/b9-7+ ,13-12+,16-15+,19-18+/t32-,33-,36+,37?,38?,39-/m1/s1
SMILES	C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCC/C=C/C/C= C/C/C=C/C/C=C/CCC)=O
MS Spectra	-
Status	Active (generated by computational methods)