Metabolomics Structure Database

 
MW REGNO: 37050
Common Name: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
RefMet Name:3',5' cyclic AMP
Synonyms: [PubChem Synonyms]
Exact Mass:
329.0525 (neutral)    Calculate m/z:
Formula:C10H12N5O6P
InChIKey:IVOMOUWHDPKRLL-KQYNXXCUSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Cyclic purine nucleotides [C0001491]
ClassyFire direct parent:3',5'-cyclic purine nucleotides [C0001502]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:Nc1[n]c[n]c2c1[n]c[n]2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6076
CHEBI ID:17489
HMDB ID:HMDB0000058
KEGG ID:C00575
Chemspider ID:5851
METLIN ID:5120
BMRB ID:bmse000071
MetaCyc ID:CAMP
NP-MRD ID(NMR):NP0000123

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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