Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37722
Common Name:	Cyclic GMP
Systematic Name:	9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl]-2-amino-6,9-dihydro-1H-purin-6-one
RefMet Name:	3',5' cyclic GMP
Synonyms:	[PubChem Synonyms]
Exact Mass:	345.0474 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H12N5O7P
InChIKey:	ZOOGRGPOEVQQDX-UUOKFMHZSA-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]
Massbank MS spectra:	View MS spectra
SMILES:	C1[C@@H]2[C@H]([C@H]([C@H](n3cnc4c3nc(N)[nH]c4=O)O2)O)OP(=O)(O)O1
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	135398570
CHEBI ID:	16356
HMDB ID:	HMDB0001314
KEGG ID:	C00942
Chemspider ID:	22734
METLIN ID:	6152
MetaCyc ID:	CGMP
Plant Metabolite Hub(Pmhub):	MS000008184

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