RefMet Compound Details

MW structure37432 (View MW Metabolite Database details)
RefMet nameSAICAR
Systematic name5'-phosphoribosyl-4 (N- succinocarboxamide)-5-aminoimidazole
SMILESC([C@@H](C(=O)O)NC(=O)c1c(N)n(cn1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O1)O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass454.073709 (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
FormulaC13H19N4O12PView other entries in RefMet with this formula
InChIInChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1
-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1
InChIKeyNAQGHJTUZRHGAC-ZZZDFHIKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassImidazoles
Sub ClassImidazole ribonucleosides and ribonucleotides
Pubchem CID160666
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving SAICAR

Rxn IDKEGG ReactionEnzyme
R04559 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole <=> Fumarate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole AMP-lyase
R04591 ATP + 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate + L-Aspartate <=> ADP + Orthophosphate + 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole1-(5-Phosphoribosyl)-5-amino-4-carboxyimidazole:L-aspartate ligase (ADP-forming)

Table of KEGG human pathways containing SAICAR

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 2
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