Metabolomics Structure Database

 
MW REGNO: 50719
Common Name:ADP-D-ribose
Systematic Name:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
RefMet Name:ADP-ribose
Synonyms:D-ribofuranose, 5-5'-ester with adenosine 5'-(trihydrogen pyrophosphate); adenosine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribose [PubChem Synonyms]
Exact Mass:
559.0717 (neutral)    Calculate m/z:
Formula:C15H23N5O14P2
InChIKey:SRNWOUGRCWSEMX-TYASJMOZSA-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]
SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:33576
CHEBI ID:16960
HMDB ID:HMDB0001178
KEGG ID:C00301
Plant Metabolite Hub(Pmhub):MS000016194

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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