Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	29179
Common Name:	UDP-GlcNAc
Systematic Name:	UDP-N-acetyl-alphaD-glucosamine
Synonyms:	[PubChem Synonyms]
Exact Mass:	607.0816 (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:	C17H27N3O17P2
InChIKey:	LFTYTUAZOPRMMI-CFRASDGPSA-N
LIPID MAPS Category:	Saccharolipids [SL]
LIPID MAPS mainclass:	Acylaminosugars [SL01]
LIPID MAPS subclass:	Monoacylaminosugars [SL0101]
Massbank MS spectra:	View MS spectra
SMILES:	CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2ccc(=O)[nH]c2=O)O1)O)O)O)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	445675
LIPID MAPS ID:	LMSL01010002
CHEBI ID:	16264
HMDB ID:	HMDB0000290
KEGG ID:	C00043
Plant Metabolite Hub(Pmhub):	MS000002338

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