Metabolomics Structure Database
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| MW REGNO: | 68288 |
| Common Name: | Nicotinic acid adenine dinucleotide |
| Systematic Name: | 1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylic acid |
| RefMet Name: | Nicotinic acid adenine dinucleotide |
| Synonyms: | deamido-NAD; deamido-NAD+; Nicotinic acid adenine dinucleotide; nicotinate adenine dinucleotide; NaADN [PubChem Synonyms] |
| Exact Mass: | |
| Formula: | C21H27N6O15P2 |
| InChIKey: | SENPVEZBRZQVST-HISDBWNOSA-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 |
| MoNA MS spectra: | View MS spectra |
| 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](n3cnc4c(N)ncnc34)O2)O)O)O1)O)O)C(=O)O |
| Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
| PubChem CID: | 165491 |
| CHEBI ID: | 18304 |
| HMDB ID: | HMDB0001179 |
| KEGG ID: | C00857 |
| MetaCyc ID: | DEAMIDO-NAD |
| Plant Metabolite Hub(Pmhub): | MS000015898 |
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
