Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	78631
Common Name:	Sucrose 6-phosphate
Systematic Name:	beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside
RefMet Name:	Sucrose 6-phosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	422.0825 (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:	C12H23O14P
InChIKey:	WQQSIXKPRAUZJL-UGDNZRGBSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Disaccharides [C0001542]
SMILES:	C([C@@H]1[C@H]([C@@H]([C@@](CO)(O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O1)O)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:	644101
CHEBI ID:	131603
HMDB ID:	HMDB0301916
KEGG ID:	C16688
Plant Metabolite Hub(Pmhub):	MS000025325

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