Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	39034
Common Name:	Galactosylglycerol
Systematic Name:	(2R,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
RefMet Name:	Galactosylglycerol
Synonyms:	[PubChem Synonyms]
Exact Mass:	254.1002 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C9H18O8
InChIKey:	NHJUPBDCSOGIKX-VGPGGAHRSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	656504
CHEBI ID:	150213
HMDB ID:	HMDB0006790
KEGG ID:	C05401
Chemspider ID:	570889
MetaCyc ID:	3-B-D-GALACTOSYL-SN-GLYCEROL
Plant Metabolite Hub(Pmhub):	MS000018688

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y