Metabolomics Structure Database
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MW REGNO: | 38936 |
Common Name: | ADP-glucose |
Systematic Name: | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid |
RefMet Name: | ADP-glucose |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C16H25N5O15P2 |
InChIKey: | WFPZSXYXPSUOPY-ROYWQJLOSA-N |
ClassyFire superclass: | Nucleosides, nucleotides, and analogues [C0000289] |
ClassyFire class: | Purine nucleotides [C0001506] |
ClassyFire subclass: | Purine nucleotide sugars [C0001293] |
ClassyFire direct parent: | Purine nucleotide sugars [C0001293] |
Massbank MS spectra: | View MS spectra |
SMILES: | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O)O)O)O)O |
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