RefMet Compound Details

MW structure	37722 (View MW Metabolite Database details)
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
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)
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
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
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Pubchem CID	135398570
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
R01234	3',5'-Cyclic GMP + H2O <=> GMP	Guanosine 3',5'-cyclic phosphate 5'-nucleotidohydrolase
R00434	GTP <=> 3',5'-Cyclic GMP + Diphosphate	GTP diphosphate-lyase (cyclizing

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

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2