Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53854
Common Name:	2-acetamido-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose
Systematic Name:	2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucopyranose
RefMet Name:	N-Acetylmuramic acid
Synonyms:	N-Acetylmuramic acid [PubChem Synonyms]
Exact Mass:	293.1111 (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:	C11H19NO8
InChIKey:	MNLRQHMNZILYPY-MKFCKLDKSA-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:	C[C@H](C(=O)O)O[C@@H]1[C@H](C(O)O[C@H](CO)[C@H]1O)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