RefMet Compound Details

MW structure37640 (View MW Metabolite Database details)
RefMet nameCMP-N-acetylneuraminic acid
Alternative nameCytidine monophosphate N-acetylneuraminic acid
Systematic name(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)N[C@@H]1[C@H](C[C@@](C(=O)O)(O[C@H]1[C@@H]([C@@H](CO)O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2ccc(N)nc2
=O)O1)O)O)O
  Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass614.147267 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC20H31N4O16PView other entries in RefMet with this formula
InChIInChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11
(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20
+/m0/s1
InChIKeyTXCIAUNLDRJGJZ-BILDWYJOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPyrimidines
Sub ClassPyrimidine ribonucleosides
Pubchem CID448209
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CMP-N-acetylneuraminic acid

Rxn IDKEGG ReactionEnzyme
R01117 CTP + N-Acetylneuraminate <=> Diphosphate + CMP-N-acetylneuraminateCTP:N-acetylneuraminate cytidylyltransferase

Table of KEGG human pathways containing CMP-N-acetylneuraminic acid

Pathway IDHuman Pathway# of reactions
hsa00520 Amino sugar and nucleotide sugar metabolism 1
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