RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0159092
RefMet name	3',5' 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
Synonyms	PubChem Synonyms
Exact mass	345.047438 (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	C10H12N5O7P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37722 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,1 4,17)/t3-,5-,6-,9-/m1/s1
InChIKey	ZOOGRGPOEVQQDX-UUOKFMHZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@@H]2[C@H]([C@H]([C@H](n3cnc4c3nc(N)[nH]c4=O)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 GMP 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 GMP
External Links
Pubchem CID	135398570
ChEBI ID	16356
KEGG ID	C00942
HMDB ID	HMDB0001314
Chemspider ID	22734
MetaCyc ID	CGMP
Spectral data for 3',5' cyclic GMP standards
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 GMP

Rxn ID	KEGG Reaction	Enzyme
R00434	GTP <=> 3',5'-Cyclic GMP + Diphosphate	GTP diphosphate-lyase (cyclizing
R01234	3',5'-Cyclic GMP + H2O <=> GMP	Guanosine 3',5'-cyclic phosphate 5'-nucleotidohydrolase

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

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2