Metabolomics Structure Database

 
MW REGNO: 38205
Common Name:N-Acetylglucosamine 6-phosphate
Systematic Name:{[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
301.0563 (neutral)    Calculate m/z:
Formula:C8H16NO9P
InChIKey:BRGMHAYQAZFZDJ-PVFLNQBWSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Acylaminosugars [C0000146]
MoNA MS spectra:View MS spectra
SMILES:CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](COP(=O)(O)O)O[C@@H]1O)O)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:439219
HMDB ID:HMDB0002817
Chemspider ID:388358
METLIN ID:3429

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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