Metabolomics Structure Database
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MW REGNO: | 49925 |
Common Name: | Adp-ribose |
Systematic Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
Synonyms: | [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate [PubChem Synonyms] |
Exact Mass: | |
Formula: | C15H23N5O14P2 |
InChIKey: | SRNWOUGRCWSEMX-KEOHHSTQSA-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] |
MoNA MS spectra: | View MS spectra |
SMILES: | C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](O)O1)O)O |
Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 445794 |
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