RefMet Compound Details

MW structure37050 (View MW Metabolite Database details)
RefMet name3',5' cyclic AMP
Systematic name(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-one
SMILESC1[C@@H]2[C@H]([C@H]([C@H](n3cnc4c(N)ncnc34)O2)O)OP(=O)(O)O1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass329.052523 (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
FormulaC10H12N5O6PView other entries in RefMet with this formula
InChIKeyIVOMOUWHDPKRLL-KQYNXXCUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNMP
Pubchem CID6076
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3'',5'' cyclic AMP

Rxn IDKEGG ReactionEnzyme
R00089 ATP <=> 3',5'-Cyclic AMP + DiphosphateATP diphosphate-lyase (cyclizing
R00191 3',5'-Cyclic AMP + H2O <=> AMPadenosine 3',5'-phosphate 5'-nucleotidohydrolase

Table of KEGG human pathways containing 3'',5'' cyclic AMP

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 2