RefMet Compound Details

MW structure	71723 (View MW Metabolite Database details)
RefMet name	UDP-N-acetylglucosamine
Systematic name	{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
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(n2ccc(=O)[nH]c2=O)O1)O)O )O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	607.081578 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C17H27N3O17P2	View other entries in RefMet with this formula
InChI	InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19 -17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
InChIKey	LFTYTUAZOPRMMI-CFRASDGPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNDP
Pubchem CID	445675
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving UDP-N-acetylglucosamine

Rxn ID	KEGG Reaction	Enzyme
R00418	UDP-N-acetyl-alpha-D-glucosamine <=> UDP-N-acetyl-D-galactosamine	UDP-N-acetyl-D-glucosamine 4-epimerase
R00414	UDP-N-acetyl-alpha-D-glucosamine + H2O <=> N-Acetyl-D-mannosamine + UDP	UDP-N-acetyl-D-glucosamine 2-epimerase
R00416	UTP + N-Acetyl-alpha-D-glucosamine 1-phosphate <=> Diphosphate + UDP-N-acetyl-alpha-D-glucosamine	UTP:N-acetyl-alpha-D-glucosamine-1-phosphate uridylyltransferase

Table of KEGG human pathways containing UDP-N-acetylglucosamine

Pathway ID	Human Pathway	# of reactions
hsa00520	Amino sugar and nucleotide sugar metabolism	2
hsa01250	Biosynthesis of nucleotide sugars	1