Metabolomics Structure Database
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| MW REGNO: | 68665 |
| Common Name: | Nicotinamide purin-6-ol-dinucleotide |
| Systematic Name: | [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| RefMet Name: | Nicotinamide purin-6-ol-dinucleotide |
| Synonyms: | AC1L9956; Nicotinamide hypoxanthine dinucleotide; C04423 [PubChem Synonyms] |
| Exact Mass: | |
| Formula: | C21H27N6O15P2 |
| InChIKey: | DGVSIBCCYUVRNA-NNYOXOHSSA-O |
| ClassyFire superclass: | Nucleosides, nucleotides, and analogues [C0000289] |
| ClassyFire class: | (5'->5')-dinucleotides [C0003468] |
| ClassyFire subclass: | (5'->5')-dinucleotides [C0003468] |
| ClassyFire direct parent: | Aromatic heteropolycyclic compounds |
| SMILES: | c1cc(c[n+](c1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](n3cnc4c3[nH]cnc4=O)O2)O)O)O1)O)O)C(=O)N |
| Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
| PubChem CID: | 135398705 |
| KEGG ID: | C04423 |
| Plant Metabolite Hub(Pmhub): | MS000018336 |
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
