Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37754
Common Name:	N-Acetyl-glucosamine 1-phosphate
Systematic Name:	{[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
RefMet Name:	N-Acetyl-D-glucosamine 1-phosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	301.0563 (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:	C8H16NO9P
InChIKey:	FZLJPEPAYPUMMR-RTRLPJTCSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	N-acyl-alpha-hexosamines [C0002276]
SMILES:	CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](CO)OC1OP(=O)(O)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:	440272
CHEBI ID:	7125
HMDB ID:	HMDB0001367
KEGG ID:	C04256
Chemspider ID:	389248
METLIN ID:	6194
BMRB ID:	bmse000163
MetaCyc ID:	N-ACETYL-D-GLUCOSAMINE-1-P
Plant Metabolite Hub(Pmhub):	MS000007566

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