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CHEBI:16171 - NMN zwitterion
| Formula | C11H15N2O8P |
| Net Charge | 0 |
| Average Mass | 334.221 |
| Monoisotopic Mass | 334.05660 |
| SMILES | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c1 |
| InChI | InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1 |
| InChIKey | DAYLJWODMCOQEW-TURQNECASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| NMN zwitterion (CHEBI:16171) has role Escherichia coli metabolite (CHEBI:76971) |
| NMN zwitterion (CHEBI:16171) has role mouse metabolite (CHEBI:75771) |
| NMN zwitterion (CHEBI:16171) is a nicotinamide mononucleotide (CHEBI:50383) |
| NMN zwitterion (CHEBI:16171) is conjugate acid of NMN− (CHEBI:14649) |
| NMN zwitterion (CHEBI:16171) is conjugate base of NMN+ (CHEBI:14648) |
| Incoming Relation(s) |
| NMN+ (CHEBI:14648) is conjugate acid of NMN zwitterion (CHEBI:16171) |
| NMN− (CHEBI:14649) is conjugate base of NMN zwitterion (CHEBI:16171) |
| IUPAC Name |
|---|
| 3-carbamoyl-1-[5-O-(hydroxyphosphinato)-β-D-ribofuranosyl]pyridinium |
| Synonyms | Source |
|---|---|
| 3-(aminocarbonyl)-1-(5-O-phosphonato-β-D-ribofuranosyl)pyridinium | ChemIDplus |
| 3-(aminocarbonyl)-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium, inner salt | ChemIDplus |
| beta-Nicotinamide D-ribonucleotide | KEGG COMPOUND |
| beta-Nicotinamide mononucleotide | KEGG COMPOUND |
| beta-Nicotinamide ribonucleotide | KEGG COMPOUND |
| Nicotinamide D-ribonucleotide | KEGG COMPOUND |