RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042951
RefMet name	Stavudine
Systematic name	2′,3′-Didehydro-2′,3′-dideoxythymidine
Synonyms	PubChem Synonyms
Exact mass	224.079708 (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	C10H12N2O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42969 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	XNKLLVCARDGLGL-JGVFFNPUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1cn([C@H]2C=C[C@@H](CO)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 deoxyribonucleosides
Distribution of Stavudine 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 Stavudine
External Links
Pubchem CID	18283
ChEBI ID	63581
KEGG ID	C07312
HMDB ID	HMDB0014787
Chemspider ID	17270
EPA CompTox	DTXCID10208898
Spectral data for Stavudine standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)