Metabolomics Structure Database

 
MW REGNO: 62675
Common Name:2-hydroxy-dATP
Systematic Name:2'-deoxy-2-oxo-3-hydroadenosine 5'-(tetrahydrogen triphosphate)
Synonyms:2'-deoxy-2-hydroxyadenosine 5'-(tetrahydrogen triphosphate); 2'-deoxy-2-hydroxyadenosine triphosphate; 2'-deoxyisoguanosine triphosphate; 2-HO-dATP; 2-OH-dATP; d(isoGTP) [PubChem Synonyms]
Exact Mass:
506.9957 (neutral)    Calculate m/z:
Formula:C10H16N5O13P3
InChIKey:UOACBPRDWRDEHJ-KVQBGUIXSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Purine deoxyribonucleotides [C0002134]
ClassyFire direct parent:Purine 2'-deoxyribonucleoside triphosphates [C0002145]
SMILES:C1[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)nc(=O)[nH]c12)O
Studies:-

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Human Pathway links:

REACTOME pathways containing this metabolite

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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