Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	78603
Common Name:	6-Hydroxyl-1,6-dihydropurine ribonucleoside
Systematic Name:	6-Hydroxy-1,6-dihydropurine ribonucleoside
RefMet Name:	6-Hydroxyl-1,6-dihydropurine ribonucleoside
Synonyms:	(6R)-1,6-Dihydroinosine [PubChem Synonyms]
Exact Mass:	270.0964 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H14N4O5
InChIKey:	WGRXVKRHIMUTPD-HRNNJVHXSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Purine nucleosides [C0000479]
ClassyFire subclass:	Purine nucleosides [C0000479]
SMILES:	C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2N=CN[C@@H]3O)O1)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	126220
CHEBI ID:	2196
KEGG ID:	C04583
EPA CompTox DB:	DTXCID50215900
Plant Metabolite Hub(Pmhub):	MS000018411

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y