RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200681
RefMet name	Cordycepin
Systematic name	3'-deoxyadenosine
Synonyms	PubChem Synonyms
Exact mass	251.101839 (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	C10H13N5O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	51930 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	OFEZSBMBBKLLBJ-BAJZRUMYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine deoxyribonucleosides
Distribution of Cordycepin 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 Cordycepin
External Links
Pubchem CID	6303
ChEBI ID	29014
MetaCyc ID	CPD-10129
EPA CompTox	DTXCID90209707
NPAtlas DB	NP015446
Spectral data for Cordycepin standards
NP-MRD ID(NMR)	View NMR spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)