Metabolomics Structure Database
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MW REGNO: | 37751 |
Common Name: | Adenosine tetraphosphate |
Systematic Name: | {[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid |
RefMet Name: | Adenosine tetraphosphate |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C10H17N5O16P4 |
InChIKey: | WWMWAMFHUSTZTA-KQYNXXCUSA-N |
ClassyFire superclass: | Nucleosides, nucleotides, and analogues [C0000289] |
ClassyFire class: | Purine nucleotides [C0001506] |
ClassyFire subclass: | Purine ribonucleotides [C0001544] |
ClassyFire direct parent: | Purine ribonucleoside polyphosphates [C0001627] |
SMILES: | Nc1[n]c[n]c2c1[n]c[n]2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |
Studies: | Available studies (via RefMet name) |
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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