Metabolomics Structure Database

 
MW REGNO: 37850
Common Name:Mannitol 1-phosphate
Systematic Name:{[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid
RefMet Name:Mannitol 1-phosphate
Synonyms: [PubChem Synonyms]
Exact Mass:
262.0454 (neutral)    Calculate m/z:
Formula:C6H15O9P
InChIKey:GACTWZZMVMUKNG-KVTDHHQDSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Monosaccharide phosphates [C0001541]
MoNA MS spectra:View MS spectra
SMILES:C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:130418
CHEBI ID:16298
HMDB ID:HMDB0001530
KEGG ID:C00644
Chemspider ID:115387
METLIN ID:6302
Plant Metabolite Hub(Pmhub):MS000001078

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

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