RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135874
RefMet name	3',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
Synonyms	PubChem Synonyms
Exact mass	329.052523 (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	C10H12N5O6P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37050 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) /t4-,6-,7-,10-/m1/s1
InChIKey	IVOMOUWHDPKRLL-KQYNXXCUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Distribution of 3',5' cyclic AMP 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 3',5' cyclic AMP
External Links
Pubchem CID	6076
ChEBI ID	17489
KEGG ID	C00575
HMDB ID	HMDB0000058
Chemspider ID	5851
MetaCyc ID	CAMP
Spectral data for 3',5' cyclic AMP standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
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 3',5' cyclic AMP

Rxn ID	KEGG Reaction	Enzyme
R00089	ATP <=> 3',5'-Cyclic AMP + Diphosphate	ATP diphosphate-lyase (cyclizing
R00191	3',5'-Cyclic AMP + H2O <=> AMP	adenosine 3',5'-phosphate 5'-nucleotidohydrolase

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

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2