Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	65148
Common Name:	2,4-diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose
Systematic Name:	N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
RefMet Name:	2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose
Synonyms:	2,4-diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose; 2,4-diacetamido-2,4,6-trideoxy-alpha-D-mannose [PubChem Synonyms]
Exact Mass:	246.1216 (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:	C10H18N2O5
InChIKey:	NRXWTRNYICXMBF-UBUKNDCTSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Hexoses [C0001498]
SMILES:	C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O)O1)NC(=O)C)O)NC(=O)C
Studies:	Available studies (via RefMet name)

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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