Metabolomics Structure Database

 
MW REGNO: 43309
Common Name:Fludarabine
Systematic Name:{[(2R,3S,4S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
365.0537 (neutral)    Calculate m/z:
Formula:C10H13FN5O7P
InChIKey:GIUYCYHIANZCFB-FJFJXFQQSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Purine ribonucleotides [C0001544]
ClassyFire direct parent:Purine ribonucleoside monophosphates [C0001617]
MoNA MS spectra:View MS spectra
SMILES:C([C@@H]1[C@H]([C@@H]([C@H](n2cnc3c(N)nc(F)nc23)O1)O)O)OP(=O)(O)O
Studies:-

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External database links:

PubChem CID:30751
CHEBI ID:63599
HMDB ID:HMDB0015206
Chemspider ID:28532
EPA CompTox DB:DTXCID30209605
Plant Metabolite Hub(Pmhub):MS000243155

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

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