Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67391
Common Name:	6-o-phosphonohexopyranose
Systematic Name:	(3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methyl dihydrogen phosphate
RefMet Name:	Hexose 6-phosphate
Synonyms:	D-hexose 6-phosphate; SureCN70769; AC1L18PY; AC1Q6RZ8 [PubChem Synonyms]
Exact Mass:	260.0297 (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:	C6H13O9P
InChIKey:	NBSCHQHZLSJFNQ-UHFFFAOYSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Hexose phosphates [C0002260]
Massbank MS spectra:	View MS spectra
SMILES:	C(C1C(C(C(C(O)O1)O)O)O)OP(=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:	208
CHEBI ID:	182132
HMDB ID:	HMDB0246205
KEGG ID:	C02965
Plant Metabolite Hub(Pmhub):	MS000001103

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