RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0160954
RefMet name	UDP-N-acetylgalactosamine
Systematic name	uridine 5'-[3-(2-acetamido-2-deoxy-D-galactopyranosyl) dihydrogen diphosphate]
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	50580 (Download molfile/View MW Metabolite Database details)
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-LDDHHVEYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](CO)OC1OP(=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 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNDP
Distribution of UDP-N-acetylgalactosamine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting UDP-N-acetylgalactosamine
External Links
Pubchem CID	6419712
ChEBI ID	16650
KEGG ID	C00203
HMDB ID	HMDB0000304
Structural annotation level
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-acetylgalactosamine

Rxn ID	KEGG Reaction	Enzyme
R00418	UDP-N-acetyl-alpha-D-glucosamine <=> UDP-N-acetyl-D-galactosamine	UDP-N-acetyl-D-glucosamine 4-epimerase
R10183	UTP + N-Acetyl-alpha-D-galactosamine 1-phosphate <=> Diphosphate + UDP-N-acetyl-D-galactosamine	UTP:N-acetyl-alpha-D-galactosamine-1-phosphate uridylyltransferase

Table of KEGG human pathways containing UDP-N-acetylgalactosamine

Pathway ID	Human Pathway	# of reactions
hsa01250	Biosynthesis of nucleotide sugars	2
hsa00520	Amino sugar and nucleotide sugar metabolism	1
hsa01100	Metabolic pathways	1