RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0033927
RefMet name	3',5' cyclic dTMP
Systematic name	2'-deoxythymidine cyclic 3',5'-(hydrogen phosphate)
Synonyms	PubChem Synonyms
Exact mass	304.046041 (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	C10H13N2O7P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37875 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6-,7+,8+/m 0/s1
InChIKey	QSJFDOVQWZVUQG-XLPZGREQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1cn([C@H]2C[C@H]3[C@@H](COP(=O)(O)O3)O2)c(=O)[nH]c1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNMP
Distribution of 3',5' cyclic dTMP 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 dTMP
External Links
Pubchem CID	12359154
ChEBI ID	75183
KEGG ID	C00364
HMDB ID	HMDB0001570
Spectral data for 3',5' cyclic dTMP 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 dTMP

Rxn ID	KEGG Reaction	Enzyme
R01567	ATP + Thymidine <=> ADP + dTMP	ATP:thymidine 5'-phosphotransferase
R01569	dTMP + H2O <=> Thymidine + Orthophosphate	thymidylate 5'-phosphohydrolase
R02092	dTDP + H2O <=> dTMP + Orthophosphate	dTDP phosphohydrolase
R02094	ATP + dTMP <=> ADP + dTDP	ATP:dTMP phosphotransferase
R02101	dUMP + 5,10-Methylenetetrahydrofolate <=> Dihydrofolate + dTMP	5,10-Methylenetetrahydrofolate:dUMP C-methyltransferase
R11323	dTTP + H2O <=> dTMP + Diphosphate	dTTP diphosphohydrolase

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

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	6
hsa00670	One carbon pool by folate	1